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

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3/c1-2-3-4-5-10-18-14(16(21)22)11-15(20)19-13-8-6-12(17)7-9-13/h6-9,14,18H,2-5,10-11H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1