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

Systemtic Name: 1-(4-dimethylaminophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide Openeye Name: 1-(4-dimethylaminophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide CAS Name: 1-(4-dimethylaminophenyl)-2-(1-methyl-2-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(4-dimethylaminophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide Traditional Name: 1-(4-dimethylaminophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone iodide Formula: C16H19IN2O MolecularWeight: 382.23933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)N(C)C.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)N(C)C.[I-]

InChI

InChI=1S/C16H19N2O.HI/c1-17(2)14-9-7-13(8-10-14)16(19)12-15-6-4-5-11-18(15)3;/h4-11H,12H2,1-3H3;1H/q+1;/p-1