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

Systemtic Name: 1-ethyl-2-(hydroxymethyl)pyridin-1-ium-3,4-diol chloride Openeye Name: 1-ethyl-2-(hydroxymethyl)pyridin-1-ium-3,4-diol chloride CAS Name: 1-ethyl-2-(hydroxymethyl)pyridin-1-ium-3,4-diol chloride IUPAC Name: 1-ethyl-2-(hydroxymethyl)pyridin-1-ium-3,4-diol chloride Traditional Name: 1-ethyl-2-methylol-pyridin-1-ium-3,4-diol chloride Formula: C8H12ClNO3 MolecularWeight: 205.63878

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=C(C=C1)O)O)CO.[Cl-]

Isomeric SMILES

CC[N+]1=C(C(=C(C=C1)O)O)CO.[Cl-]

InChI

InChI=1S/C8H11NO3.ClH/c1-2-9-4-3-7(11)8(12)6(9)5-10;/h3-4,10,12H,2,5H2,1H3;1H