(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(3-chloro-4-methyl-anilino)-4-keto-butyrate Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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