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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO4/c1-5-8(12)7(4-11)6(3-10)2-9(5)13/h2,10-11H,3-4H2,1H3,(H-,12,13)/p+1