5-(hydroxymethyl)-2-methyl-1-oxidanidyl-3-oxidanyl-pyridin-1-ium-4-carboxylic acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-1-oxidanidyl-3-oxidanyl-pyridin-1-ium-4-carboxylic acid Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-1-oxido-pyridin-1-ium-4-carboxylic acid CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-1-oxido-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-1-oxidopyridin-1-ium-4-carboxylic acid Traditional Name: 3-hydroxy-2-methyl-5-methylol-1-oxido-pyridin-1-ium-4-carboxylic acid Formula: C8H9NO5 MolecularWeight: 199.16076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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