1-(4-methylphenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide

Systemtic Name: 1-(4-methylphenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(p-tolyl)ethanone iodide CAS Name: 1-(4-methylphenyl)-2-(1-methyl-2-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(4-methylphenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide Traditional Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(p-tolyl)ethanone iodide Formula: C15H16INO MolecularWeight: 353.19811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C15H16NO.HI/c1-12-6-8-13(9-7-12)15(17)11-14-5-3-4-10-16(14)2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1