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

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol chloride Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol chloride CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridin-1-iumol chloride IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-ol chloride Traditional Name: 2-methyl-4,5-dimethylol-pyridin-1-ium-3-ol chloride Formula: C8H12ClNO3 MolecularWeight: 205.63878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)CO)CO.[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)CO)CO.[Cl-]

InChI

InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H