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

Systemtic Name: (2R)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(2,6-dimethylanilino)-4-keto-2-(propylammonio)butyrate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=C(C=CC=C1C)C)C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=C(C=CC=C1C)C)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-4-8-16-12(15(19)20)9-13(18)17-14-10(2)6-5-7-11(14)3/h5-7,12,16H,4,8-9H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1