4,5-bis(hydroxymethyl)-2-methyl-1-oxidanyl-2H-pyridin-1-ium-3-one

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidanyl-2H-pyridin-1-ium-3-one Openeye Name: 1-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-ium-3-one CAS Name: 1-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-ium-3-one IUPAC Name: 1-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-ium-3-one Traditional Name: 1-hydroxy-2-methyl-4,5-dimethylol-2H-pyridin-1-ium-3-one Formula: C8H12NO4+ MolecularWeight: 186.18518

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(C=[N+]1O)CO)CO

Isomeric SMILES

CC1C(=O)C(=C(C=[N+]1O)CO)CO

InChI

InChI=1S/C8H12NO4/c1-5-8(12)7(4-11)6(3-10)2-9(5)13/h2,5,10-11,13H,3-4H2,1H3/q+1