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

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-(butylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(butylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-(butylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(butylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-(butylammonio)-4-keto-butyrate Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O3/c1-2-3-8-16-12(14(19)20)9-13(18)17-11-7-5-4-6-10(11)15/h4-7,12,16H,2-3,8-9H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1