1-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H20N4O2/c1-11(20-7-5-13(6-8-20)15(18)21)16(22)19-14-4-2-3-12(9-14)10-17/h2-4,9,11,13H,5-8H2,1H3,(H2,18,21)(H,19,22)/p+1/t11-/m0/s1