(3E)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3-(phenylmethylidene)cyclopentene-1-carboxamide

Systemtic Name: (3E)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3-(phenylmethylidene)cyclopentene-1-carboxamide Openeye Name: (3E)-3-benzylidene-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)cyclopentene-1-carboxamide CAS Name: (3E)-N-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-3-(phenylmethylene)-1-cyclopentenecarboxamide IUPAC Name: (3E)-3-benzylidene-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)cyclopentene-1-carboxamide Traditional Name: (3E)-3-benzal-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)cyclopentene-1-carboxamide Formula: C24H27ClN3O+ MolecularWeight: 408.94368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(CCC2=CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C\2=C(CC/C2=C\C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN3O/c1-27-13-15-28(16-14-27)23-19(17-18-5-3-2-4-6-18)7-12-22(23)24(29)26-21-10-8-20(25)9-11-21/h2-6,8-11,17H,7,12-16H2,1H3,(H,26,29)/p+1/b19-17+