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

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-2-3-4-7-10-19-15(17(22)23)11-16(21)20-14-9-6-5-8-13(14)12-18/h5-6,8-9,15,19H,2-4,7,10-11H2,1H3,(H,20,21)(H,22,23)/t15-/m1/s1