(2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethylammonio]-4-keto-butyrate Formula: C18H17BrClNO3 MolecularWeight: 410.68948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH2+]C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC[NH2+][C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-])Cl

InChI

InChI=1S/C18H17BrClNO3/c19-14-5-3-13(4-6-14)17(22)11-16(18(23)24)21-10-9-12-1-7-15(20)8-2-12/h1-8,16,21H,9-11H2,(H,23,24)/t16-/m1/s1