(2R)-4-[(2-cyanophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C16H21N4O3+ MolecularWeight: 317.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-19-6-8-20(9-7-19)14(16(22)23)10-15(21)18-13-5-3-2-4-12(13)11-17/h2-5,14H,6-10H2,1H3,(H,18,21)(H,22,23)/p+1/t14-/m1/s1