(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[[(1R)-1-phenylethyl]ammonio]butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[[(1R)-1-phenylethyl]ammonio]butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-[[(1R)-1-phenylethyl]ammonio]butyrate Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16-/m1/s1