2-(chloromethyl)-4,5-dimethoxy-3-methyl-pyridin-1-ium chloride

Systemtic Name: 2-(chloromethyl)-4,5-dimethoxy-3-methyl-pyridin-1-ium chloride Openeye Name: 2-(chloromethyl)-4,5-dimethoxy-3-methyl-pyridin-1-ium chloride CAS Name: 2-(chloromethyl)-4,5-dimethoxy-3-methylpyridin-1-ium chloride IUPAC Name: 2-(chloromethyl)-4,5-dimethoxy-3-methylpyridin-1-ium chloride Traditional Name: 2-(chloromethyl)-4,5-dimethoxy-3-methyl-pyridin-1-ium chloride Formula: C9H13Cl2NO2 MolecularWeight: 238.11102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C[NH+]=C1CCl)OC)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=C[NH+]=C1CCl)OC)OC.[Cl-]

InChI

InChI=1S/C9H12ClNO2.ClH/c1-6-7(4-10)11-5-8(12-2)9(6)13-3;/h5H,4H2,1-3H3;1H