(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C[NH2+]C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C[NH2+][C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H15BrN2O3/c17-13-5-3-12(4-6-13)15(20)8-14(16(21)22)19-10-11-2-1-7-18-9-11/h1-7,9,14,19H,8,10H2,(H,21,22)/t14-/m1/s1