(2R)-4-[(2,6-dimethylphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,6-dimethylphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-dimethylanilino)-2-(2-methoxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-dimethylanilino)-2-(2-methoxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-2-(2-methoxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-dimethylanilino)-4-keto-2-(2-methoxyethylammonio)butyrate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)[O-])[NH2+]CCOC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCOC

InChI

InChI=1S/C15H22N2O4/c1-10-5-4-6-11(2)14(10)17-13(18)9-12(15(19)20)16-7-8-21-3/h4-6,12,16H,7-9H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1