(3S)-4-oxidanylidene-4-propan-2-yloxy-3-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (3S)-4-oxidanylidene-4-propan-2-yloxy-3-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (3S)-4-isopropoxy-4-oxo-3-(3-pyridylmethylammonio)butanoate CAS Name: (3S)-4-oxo-4-propan-2-yloxy-3-(3-pyridinylmethylammonio)butanoate IUPAC Name: (3S)-4-oxo-4-propan-2-yloxy-3-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (3S)-4-isopropoxy-4-keto-3-(3-pyridylmethylammonio)butyrate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-9(2)19-13(18)11(6-12(16)17)15-8-10-4-3-5-14-7-10/h3-5,7,9,11,15H,6,8H2,1-2H3,(H,16,17)/t11-/m0/s1