(2R)-4-(4-methylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-oxo-4-(p-tolyl)-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(p-tolyl)-2-(3-pyridylmethylammonio)butyrate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-12-4-6-14(7-5-12)16(20)9-15(17(21)22)19-11-13-3-2-8-18-10-13/h2-8,10,15,19H,9,11H2,1H3,(H,21,22)/t15-/m1/s1