339957 <common-name>N-(2-chloroethyl)-n-ethyl-3-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>94324</pubchem-id> <chemical-formula>C24H30ClN2+</chemical-formula> <weight>382</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T23:22:34Z</created-at> <updated-at type="dateTime">2026-08-30T23:22:34Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCN(CCCl)C1=CC(=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C</moldb-smiles> <moldb-formula>C24H30ClN2+</moldb-formula> <moldb-inchi>InChI=1S/C24H30ClN2/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5/h7-14,17H,6,15-16H2,1-5H3/q+1</moldb-inchi> <moldb-inchikey>HSEVJGUFKSTHMH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">381.2097517</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM335850</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-(2-chloroethyl)-n-ethyl-3-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Indoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0290373</sync-id> <structure-inchikey>HSEVJGUFKSTHMH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8008000000000000000020000800000000000000000000000000020000000000000000000000000000000000000000010000000000000000000000000000000000000000040000000000401002000000000000000000000000000804000010000000001040000000000008000000c004000020000000080000084800000080c004000000000000000000000100000000000000000821000000000000000000000000080900000000000001008800000000000000000000000000000020000008000000000000000011000000002000000200000000000000000008000000000440000000000000800001000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������� �����@(������@h�������@(������@(������@h�������@h��������h��������h��������(������ *�������@(������@h�������@h�������@h�������@h�������@(������� ������`�������`�������`�������`����������������������� ��h���h�� h� h� �h� � � (� � ��(��� ��h���h���h���h���h������������������h������h�B������� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:19Z</structure-indexed-at> </compound>