N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3O+ MolecularWeight: 272.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H21N3O/c1-13-4-2-3-11-19(13)12-16(20)18-15-7-5-14(6-8-15)9-10-17/h5-8,13H,2-4,9,11-12H2,1H3,(H,18,20)/p+1/t13-/m0/s1