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2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indolium Acetate

UUID d1e1370f-ee1d-45bd-84f7-dafa5d15e114
Flow Object IDfo-ed0a757662377d84
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 58798-47-3
EC Numbers 261-448-2
prefLabel
Language Value Provenance
en 2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indolium Acetate
altLabel ⓘ
Language Value Provenance
en 3<em>H</em>-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, acetate
en 3<em>H</em>-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, acetate (1:1)
en Basic Yellow 28 acetate
References
Shared Properties
Predicate Value
InChIKey HKQUTNRSEDOGIL-UHFFFAOYSA-M, KLGHYJUTJNRXKP-UHFFFAOYSA-N
InChI InChI=1S/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4), InChI=1S/C20H24N3O.C2H4O2/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)/q+1;/p-1
IUPAC name (4-methoxyphenyl)-methyl-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate, (4-methoxyphenyl)-methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate, 1-(4-methoxyphenyl)-N-[(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine ethanoate, 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate, 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine ethanoate, 4-methoxy-N-methyl-N-[(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline acetate, 4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline acetate, 4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline acetate, 4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline ethanoate, 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline acetate, 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline acetate, 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline acetate, 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline ethanoate, p-anisyl-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate, p-anisyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate
Molecular formula C22H27N3O3
SMILES CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)OC)C)C, CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC=C(C=C3)OC)C)C, CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C, CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC=C(C=C3)OC)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d1e1370f-ee1d-45bd-84f7-dafa5d15e114 2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indolium acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indolium acetate Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indoliumacetate||dimension=Environmental > media=Ground > geography=Unknown; cas=58798-47-3; added Common Chemistry CAS names as altLabel: 3<em>H</em>-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, acetate, 3<em>H</em>-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, acetate (1:1), Basic Yellow 28 acetate; object_uuid=fo-ed0a757662377d84
cas_match_labels 1 — consensus_match group_key=2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indoliumacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'58798-47-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed0a757662377d84: {'58798-47-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3<em>H</em>-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58798-47-3', 'https://commonchemistry.cas.org/detail?cas_rn=58798-47-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, acetate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58798-47-3', 'https://commonchemistry.cas.org/detail?cas_rn=58798-47-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Basic Yellow 28 acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58798-47-3', 'https://commonchemistry.cas.org/detail?cas_rn=58798-47-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indoliumacetate||dimension=Environmental > media=Ground > geography=Unknown; cas=58798-47-3; added Common Chemistry CAS names as altLabel: 3<em>H</em>-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, acetate, 3<em>H</em>-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, acetate (1:1), Basic Yellow 28 acetate; object_uuid=fo-ed0a757662377d84
cas_match_labels None {'58798-47-3': 'exactMatch'} group_key=2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3h-indoliumacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'58798-47-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed0a757662377d84: {'58798-47-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(4-methoxyphenyl)-methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate",
        "1-(4-methoxyphenyl)-N-[(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine acetate",
        "1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine acetate",
        "1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate",
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        "1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine acetate",
        "1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate",
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        "4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline acetate",
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        "p-anisyl-[(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate",
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