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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(2-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=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=CC=C3Cl

InChI

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