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

Systemtic Name: (2R)-2-(hexylazaniumyl)-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(hexylammonio)-4-(4-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(hexylammonio)-4-(4-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(hexylazaniumyl)-4-(4-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(hexylammonio)-4-keto-4-(p-toluidino)butyrate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-3-4-5-6-11-18-15(17(21)22)12-16(20)19-14-9-7-13(2)8-10-14/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1