97544 <common-name>2-[2-[4-[(2-Hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride</common-name> <description>2-[2-[4-[(2-Hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. It has the chemical formula C22H27N2O and an average molecular weight of 370.92 g/mol. This compound is further classified as an organoheterocyclic compound.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C22H27N2O</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">2026-04-05T05:21:01Z</created-at> <updated-at type="dateTime">2026-04-05T05:21:01Z</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-].CN(CCO)C1=CC=C(C=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C)C=C1</moldb-smiles> <moldb-formula>C22H27N2O</moldb-formula> <moldb-inchi>InChI=1/C22H27N2O.ClH/c1-22(2)19-7-5-6-8-20(19)24(4)21(22)14-11-17-9-12-18(13-10-17)23(3)15-16-25;/h5-14,25H,15-16H2,1-4H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>CNDSGMUBKLFQGY-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">370.92</moldb-average-mass> <moldb-mono-mass type="decimal">335.2123385</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>CHEM093437</chemdb-id> <dsstox-id>DTXSID60887213</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059887</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>CED0075303</sync-id> <structure-inchikey>CNDSGMUBKLFQGY-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>1000048000000000000800800000000000000002000000000000002000000000000000000000000000000000000000000000000000000000001004000000000000000000000000000800000000004000000000040000200000000000000000000000000090000001000000000024000000000000000000080000000200000000000000848000000808400000000000000100000000100000000000000000021000000000000000001000000080000000000000000000800000000000000000000001000000020000008000000000000000000000000000000000200000000000000000008000000002440000000000000000001000000080000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABESACAAAA/wYAYAAAAAED BwAoAAAAAwMGAGAAAAACAgYAYAAAAAICCABgAAAAAQEGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBgBoAAAAAwMBBgBoAAAAAwMBBgAoAAAA AwQHICoAAAABAwQGAGAAAAABAwZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGACAAAAAEBgBgAAAAAQMGAGAA AAABAwZAaAAAAAMDAQZAaAAAAAMDAQsBAgACAwADBAAEBQACBiAGB2gMBwho DAgJaAwJCiAKCygCCwwgDA0oAg0OAA0PIA8QaAwQEWgMERJoDBITaAwTFGgM EBUAFRYAFRcACRhoDBgZaAwZBmgMFQwAFA9oDEIDAAAABgYZGAkIBwUNDBUQ DwYREhMUDxAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:37Z</structure-indexed-at> </compound>