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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-13-6-4-5-10-19(13)12-16(20)18-14-7-2-3-8-15(14)21-11-9-17/h2-3,7-8,13H,4-6,10-12H2,1H3,(H,18,20)/p+1/t13-/m0/s1