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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H25N3OS/c23-12-15-27-21-9-5-4-8-20(21)24-22(26)17-25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19H,10-11,13-17H2,(H,24,26)/p+1