2-[(3E)-1-(cyclopenten-1-yl)-2-oxidanylidene-3-(phenylmethylidene)cyclopentyl]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[(3E)-1-(cyclopenten-1-yl)-2-oxidanylidene-3-(phenylmethylidene)cyclopentyl]ethyl-dimethyl-azanium chloride Openeye Name: 2-[(3E)-3-benzylidene-1-(cyclopenten-1-yl)-2-oxo-cyclopentyl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(3E)-1-(1-cyclopentenyl)-2-oxo-3-(phenylmethylene)cyclopentyl]ethyl-dimethylammonium chloride IUPAC Name: 2-[(3E)-3-benzylidene-1-(cyclopenten-1-yl)-2-oxocyclopentyl]ethyl-dimethylazanium chloride Traditional Name: 2-[(3E)-3-benzal-1-(cyclopenten-1-yl)-2-keto-cyclopentyl]ethyl-dimethyl-ammonium chloride Formula: C21H28ClNO MolecularWeight: 345.90612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1(CCC(=CC2=CC=CC=C2)C1=O)C3=CCCC3.[Cl-]

Isomeric SMILES

C[NH+](C)CCC1(CC/C(=C\C2=CC=CC=C2)/C1=O)C3=CCCC3.[Cl-]

InChI

InChI=1S/C21H27NO.ClH/c1-22(2)15-14-21(19-10-6-7-11-19)13-12-18(20(21)23)16-17-8-4-3-5-9-17;/h3-5,8-10,16H,6-7,11-15H2,1-2H3;1H/b18-16+;