(2R)-N-(3-cyanophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyanophenyl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-cyanophenyl)propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyanophenyl)propionamide 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+]2CCN(CC2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-12(19-6-8-20(9-7-19)13(2)21)16(22)18-15-5-3-4-14(10-15)11-17/h3-5,10,12H,6-9H2,1-2H3,(H,18,22)/p+1/t12-/m1/s1