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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c21-10-15-26-19-9-5-4-8-18(19)22-20(25)16-23-11-13-24(14-12-23)17-6-2-1-3-7-17/h1-9H,11-16H2,(H,22,25)/p+1