(2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-15(7-9-16)18(23)11-17(19(24)25)22-13-14-5-4-10-21-12-14/h4-10,12,17,22H,11,13H2,1-3H3,(H,24,25)/t17-/m1/s1