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

Systemtic Name: (2R)-4-[(2-methoxycarbonylphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-methoxycarbonylanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(2-methoxycarbonylanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2-methoxycarbonylanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(2-carbomethoxyanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-19-7-9-20(10-8-19)14(16(22)23)11-15(21)18-13-6-4-3-5-12(13)17(24)25-2/h3-6,14H,7-11H2,1-2H3,(H,18,21)(H,22,23)/p+1/t14-/m1/s1