94763 <common-name>2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride</common-name> <description>2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C24H28N3 and an average molecular weight of 393.96 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C24H28N3</chemical-formula> <weight nil="true"/> <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">2026-04-05T02:59:46Z</created-at> <updated-at type="dateTime">2026-04-05T02:59:46Z</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>[Cl-].CCN(CCC#N)C1=CC=C(C=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C)C=C1</moldb-smiles> <moldb-formula>C24H28N3</moldb-formula> <moldb-inchi>InChI=1/C24H28N3.ClH/c1-5-27(18-8-17-25)20-14-11-19(12-15-20)13-16-23-24(2,3)21-9-6-7-10-22(21)26(23)4;/h6-7,9-16H,5,8,18H2,1-4H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>KRQJHWFEYKEYKT-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">393.96</moldb-average-mass> <moldb-mono-mass type="decimal">358.2283229</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM090656</chemdb-id> <dsstox-id>DTXSID50885748</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056621</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0091758</sync-id> <structure-inchikey>KRQJHWFEYKEYKT-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000804800000000000000002000080000000000002008000000000002000000000000000000000000000004000000000001000000000000000000000000000000800000000004000000000060000200000000000000000000000200080400001000000000024000000000000800000080000000200000000000000848000400c08000000000000000000000000100000000000000000021000000000000000000000000088000000000000000000800000000000000000000000000000020000008000000000000000001000000000000000200000000000000000008000000002440000000000000000001000000080000000000004000</structure-fingerprint> 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