(3S)-4-[(2-methoxycarbonylphenyl)amino]-3-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[(2-methoxycarbonylphenyl)amino]-3-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(2-methoxycarbonylanilino)-3-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (3S)-4-(2-methoxycarbonylanilino)-3-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (3S)-4-(2-methoxycarbonylanilino)-3-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (3S)-4-(2-carbomethoxyanilino)-4-keto-3-morpholin-4-ium-4-yl-butyrate Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CC(=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@H](CC(=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C16H20N2O6/c1-23-16(22)11-4-2-3-5-12(11)17-15(21)13(10-14(19)20)18-6-8-24-9-7-18/h2-5,13H,6-10H2,1H3,(H,17,21)(H,19,20)/t13-/m0/s1