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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C)C(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C)C(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-3-4-5-8-11-18-15(17(21)22)12-16(20)19-14-10-7-6-9-13(14)2/h6-7,9-10,15,18H,3-5,8,11-12H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1