4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide

Systemtic Name: 4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide Openeye Name: 4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]benzene-1,2-diol iodide CAS Name: 4-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]benzene-1,2-diol iodide IUPAC Name: 4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide Traditional Name: 4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]pyrocatechol iodide Formula: C14H14INO2 MolecularWeight: 355.17093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O.[I-]

InChI

InChI=1S/C14H13NO2.HI/c1-15-8-6-11(7-9-15)2-3-12-4-5-13(16)14(17)10-12;/h2-10,17H,1H3;1H