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

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-keto-4-(p-tolyl)butyrate Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)17(20)11-16(18(21)22)19-12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3,(H,21,22)/t16-/m1/s1