1-methyl-2-[2-(4-methylphenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-2-[2-(4-methylphenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Openeye Name: 1-methyl-2-[2-(p-tolyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide CAS Name: 1-methyl-2-[2-(4-methylphenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide IUPAC Name: 1-methyl-2-[2-(4-methylphenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Traditional Name: 1-methyl-2-[2-(p-tolyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Formula: C17H20INO2 MolecularWeight: 397.25067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2OCC(CO2)C3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2OCC(CO2)C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C17H20NO2.HI/c1-13-6-8-14(9-7-13)17-19-11-15(12-20-17)16-5-3-4-10-18(16)2;/h3-10,15,17H,11-12H2,1-2H3;1H/q+1;/p-1