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

Systemtic Name: (6E)-6-(1-octyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Openeye Name: (6E)-6-(1-octyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride CAS Name: (6E)-6-(1-octyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)-1-cyclohexa-2,4-dienone chloride IUPAC Name: (6E)-6-(1-octyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Traditional Name: (6E)-6-(1-octyl-1,3-dihydrobenzimidazol-1-ium-2-ylidene)cyclohexa-2,4-dien-1-one chloride Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O.ClH/c1-2-3-4-5-6-11-16-23-19-14-9-8-13-18(19)22-21(23)17-12-7-10-15-20(17)24;/h7-10,12-15,22H,2-6,11,16H2,1H3;1H/b21-17+;