N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C16H21N3OS/c1-13-5-4-9-19(11-13)12-16(20)18-14-6-2-3-7-15(14)21-10-8-17/h2-3,6-7,13H,4-5,9-12H2,1H3,(H,18,20)/p+1/t13-/m1/s1