(2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[(4-chlorophenyl)methylammonio]-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-[(4-chlorophenyl)methylammonio]-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-[(4-chlorobenzyl)ammonio]-4-keto-4-(p-tolyl)butyrate Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3/c1-12-2-6-14(7-3-12)17(21)10-16(18(22)23)20-11-13-4-8-15(19)9-5-13/h2-9,16,20H,10-11H2,1H3,(H,22,23)/t16-/m1/s1