2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4O/c22-19-9-4-5-10-20(19)25-15-13-24(14-16-25)17-21(27)26(12-6-11-23)18-7-2-1-3-8-18/h1-5,7-10H,6,12-17H2/p+1