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

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidanidyl-pyridin-1-ium-3-ol Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-pyridin-1-ium-3-ol CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-3-pyridin-1-iumol IUPAC Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidopyridin-1-ium-3-ol Traditional Name: 2-methyl-4,5-dimethylol-1-oxido-pyridin-1-ium-3-ol Formula: C8H11NO4 MolecularWeight: 185.17724

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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/h2,10-12H,3-4H2,1H3