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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-11-7-12(2)9-13(8-11)18-15(19)10-14(16(20)21)17-5-4-6-22-3/h7-9,14,17H,4-6,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1