(6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride

Systemtic Name: (6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Openeye Name: (6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride CAS Name: (6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)-1-cyclohexa-2,4-dienone chloride IUPAC Name: (6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Traditional Name: (6E)-6-(1-butyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Formula: C17H19ClN2O MolecularWeight: 302.79856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1C2=CC=CC=C2NC1=C3C=CC=CC3=O.[Cl-]

Isomeric SMILES

CCCC[NH+]\1C2=CC=CC=C2N/C1=C\3/C=CC=CC3=O.[Cl-]

InChI

InChI=1S/C17H18N2O.ClH/c1-2-3-12-19-15-10-6-5-9-14(15)18-17(19)13-8-4-7-11-16(13)20;/h4-11,18H,2-3,12H2,1H3;1H/b17-13+;