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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-4-5-8-17-14(16(20)21)10-15(19)18-13-9-11(2)6-7-12(13)3/h6-7,9,14,17H,4-5,8,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1