(2R)-4-[(2,5-dimethylphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,5-dimethylphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,5-dimethylanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,5-dimethylanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,5-dimethylanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,5-dimethylanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-11-5-6-12(2)13(9-11)18-15(19)10-14(16(20)21)17-7-4-8-22-3/h5-6,9,14,17H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1