3-(1-methylpyridin-1-ium-2-yl)propanenitrile iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)propanenitrile iodide Openeye Name: 3-(1-methylpyridin-1-ium-2-yl)propanenitrile iodide CAS Name: 3-(1-methyl-2-pyridin-1-iumyl)propanenitrile iodide IUPAC Name: 3-(1-methylpyridin-1-ium-2-yl)propanenitrile iodide Traditional Name: 3-(1-methylpyridin-1-ium-2-yl)propionitrile iodide Formula: C9H11IN2 MolecularWeight: 274.10151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCC#N.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CCC#N.[I-]

InChI

InChI=1S/C9H11N2.HI/c1-11-8-3-2-5-9(11)6-4-7-10;/h2-3,5,8H,4,6H2,1H3;1H/q+1;/p-1