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

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H24N4O4/c1-12(22)18-13-3-5-14(6-4-13)19-16(23)11-15(17(24)25)21-9-7-20(2)8-10-21/h3-6,15H,7-11H2,1-2H3,(H,18,22)(H,19,23)(H,24,25)/p+1/t15-/m1/s1