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

Systemtic Name: (2R)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(2-carbomethoxyanilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C16H21N3O5/c1-24-16(23)11-4-2-3-5-12(11)18-14(20)10-13(15(21)22)19-8-6-17-7-9-19/h2-5,13,17H,6-10H2,1H3,(H,18,20)(H,21,22)/p+1/t13-/m1/s1