(2R)-2-[bis(phenylmethyl)azaniumyl]-4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[bis(phenylmethyl)azaniumyl]-4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chlorophenyl)-2-(dibenzylammonio)-4-oxo-butanoate CAS Name: (2R)-2-[bis(phenylmethyl)ammonio]-4-(4-chlorophenyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chlorophenyl)-2-(dibenzylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chlorophenyl)-2-(dibenzylammonio)-4-keto-butyrate Formula: C24H22ClNO3 MolecularWeight: 407.88938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)[C@H](CC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C24H22ClNO3/c25-21-13-11-20(12-14-21)23(27)15-22(24(28)29)26(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,28,29)/t22-/m1/s1