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

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol bromide Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol bromide CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridin-1-iumol bromide IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-ol bromide Traditional Name: 2-methyl-4,5-dimethylol-pyridin-1-ium-3-ol bromide Formula: C8H12BrNO3 MolecularWeight: 250.08978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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