4-(hydroxymethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-carboxylic acid Openeye Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-pyridin-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxidopyridin-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-6-methyl-4-methylol-1-oxido-pyridin-1-ium-3-carboxylic acid Formula: C8H9NO5 MolecularWeight: 199.16076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)CO)C(=O)O)[O-]

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)CO)C(=O)O)[O-]

InChI

InChI=1S/C8H9NO5/c1-4-7(11)6(3-10)5(8(12)13)2-9(4)14/h2,10-11H,3H2,1H3,(H,12,13)