6-(hydroxymethyl)-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyridin-1-ium-3-olate

Systemtic Name: 6-(hydroxymethyl)-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyridin-1-ium-3-olate Openeye Name: 6-(hydroxymethyl)-1-(2-hydroxy-1-methyl-2-oxo-ethyl)pyridin-1-ium-3-olate CAS Name: 6-(hydroxymethyl)-1-(1-hydroxy-1-oxopropan-2-yl)-3-pyridin-1-iumolate IUPAC Name: 6-(hydroxymethyl)-1-(1-hydroxy-1-oxopropan-2-yl)pyridin-1-ium-3-olate Traditional Name: 1-(2-hydroxy-2-keto-1-methyl-ethyl)-6-methylol-pyridin-1-ium-3-olate Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=C(C=CC(=C1)[O-])CO

Isomeric SMILES

CC(C(=O)O)[N+]1=C(C=CC(=C1)[O-])CO

InChI

InChI=1S/C9H11NO4/c1-6(9(13)14)10-4-8(12)3-2-7(10)5-11/h2-4,6,11H,5H2,1H3,(H-,12,13,14)