1-[2-(3-methoxyphenoxy)-5-methyl-pyridin-1-ium-1-yl]propan-2-one iodide

Systemtic Name: 1-[2-(3-methoxyphenoxy)-5-methyl-pyridin-1-ium-1-yl]propan-2-one iodide Openeye Name: 1-[2-(3-methoxyphenoxy)-5-methyl-pyridin-1-ium-1-yl]propan-2-one iodide CAS Name: 1-[2-(3-methoxyphenoxy)-5-methyl-1-pyridin-1-iumyl]-2-propanone iodide IUPAC Name: 1-[2-(3-methoxyphenoxy)-5-methylpyridin-1-ium-1-yl]propan-2-one iodide Traditional Name: 1-[2-(3-methoxyphenoxy)-5-methyl-pyridin-1-ium-1-yl]acetone iodide Formula: C16H18INO3 MolecularWeight: 399.22349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)OC2=CC(=CC=C2)OC)CC(=O)C.[I-]

Isomeric SMILES

CC1=C[N+](=C(C=C1)OC2=CC(=CC=C2)OC)CC(=O)C.[I-]

InChI

InChI=1S/C16H18NO3.HI/c1-12-7-8-16(17(10-12)11-13(2)18)20-15-6-4-5-14(9-15)19-3;/h4-10H,11H2,1-3H3;1H/q+1;/p-1