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

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(3,5-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(3,5-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(3,5-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-(3,5-dimethylanilino)-4-keto-butyrate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC(=O)NC1=CC(=CC(=C1)C)C)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+][C@H](CC(=O)NC1=CC(=CC(=C1)C)C)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-4-5-6-17-14(16(20)21)10-15(19)18-13-8-11(2)7-12(3)9-13/h7-9,14,17H,4-6,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1