(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(3-nitroanilino)butyrate Formula: C15H21N4O5+ MolecularWeight: 337.35104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H20N4O5/c1-17-5-7-18(8-6-17)13(15(21)22)10-14(20)16-11-3-2-4-12(9-11)19(23)24/h2-4,9,13H,5-8,10H2,1H3,(H,16,20)(H,21,22)/p+1/t13-/m1/s1