2-(hydroxymethyl)-1-(3-oxidanylpropyl)pyridin-1-ium-3,4-diol chloride

Systemtic Name: 2-(hydroxymethyl)-1-(3-oxidanylpropyl)pyridin-1-ium-3,4-diol chloride Openeye Name: 2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-1-ium-3,4-diol chloride CAS Name: 2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-1-ium-3,4-diol chloride IUPAC Name: 2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-1-ium-3,4-diol chloride Traditional Name: 1-(3-hydroxypropyl)-2-methylol-pyridin-1-ium-3,4-diol chloride Formula: C9H14ClNO4 MolecularWeight: 235.66476

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C(C(=C1O)O)CO)CCCO.[Cl-]

Isomeric SMILES

C1=C[N+](=C(C(=C1O)O)CO)CCCO.[Cl-]

InChI

InChI=1S/C9H13NO4.ClH/c11-5-1-3-10-4-2-8(13)9(14)7(10)6-12;/h2,4,11-12,14H,1,3,5-6H2;1H