2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c21-16-4-3-5-17(14-16)25-11-9-24(10-12-25)15-20(26)23-18-6-1-2-7-19(18)27-13-8-22/h1-7,14H,9-13,15H2,(H,23,26)/p+1