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

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C(CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

InChI

InChI=1S/C16H23BrN2O3/c1-2-3-4-7-10-18-14(16(21)22)11-15(20)19-13-9-6-5-8-12(13)17/h5-6,8-9,14,18H,2-4,7,10-11H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1