(1-methylpyridin-1-ium-4-yl)-phenyl-methanone iodide

Systemtic Name: (1-methylpyridin-1-ium-4-yl)-phenyl-methanone iodide Openeye Name: (1-methylpyridin-1-ium-4-yl)-phenyl-methanone iodide CAS Name: (1-methyl-4-pyridin-1-iumyl)-phenylmethanone iodide IUPAC Name: (1-methylpyridin-1-ium-4-yl)-phenylmethanone iodide Traditional Name: (1-methylpyridin-1-ium-4-yl)-phenyl-methanone iodide Formula: C13H12INO MolecularWeight: 325.14495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO.HI/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1