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

Systemtic Name: 4-(hydroxymethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-carbaldehyde Openeye Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-pyridin-1-ium-3-carbaldehyde CAS Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-3-pyridin-1-iumcarboxaldehyde IUPAC Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxidopyridin-1-ium-3-carbaldehyde Traditional Name: 5-hydroxy-6-methyl-4-methylol-1-oxido-pyridin-1-ium-3-carbaldehyde Formula: C8H9NO4 MolecularWeight: 183.16136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO4/c1-5-8(12)7(4-11)6(3-10)2-9(5)13/h2-3,11-12H,4H2,1H3