(2R)-4-[(2,4-dichlorophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,4-dichlorophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,4-dichloroanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,4-dichloroanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,4-dichloroanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,4-dichloroanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C16H22Cl2N2O3 MolecularWeight: 361.26348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Cl2N2O3/c1-2-3-4-5-8-19-14(16(22)23)10-15(21)20-13-7-6-11(17)9-12(13)18/h6-7,9,14,19H,2-5,8,10H2,1H3,(H,20,21)(H,22,23)/t14-/m1/s1