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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c22-10-15-28-19-9-5-4-8-18(19)23-20(26)16-24-11-13-25(14-12-24)21(27)17-6-2-1-3-7-17/h1-9H,11-16H2,(H,23,26)/p+1