N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide

Systemtic Name: N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chlorophenyl)-2-cyano-prop-2-enamide CAS Name: N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chlorophenyl)-2-cyano-acrylamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O/c22-19-7-4-8-20(13-19)24-21(27)18(14-23)16-26-11-9-25(10-12-26)15-17-5-2-1-3-6-17/h1-8,13,16H,9-12,15H2,(H,24,27)/p+1