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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2OCC(CO2)C3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CC1=CC=CC=C1C2OCC(CO2)C3=CC=CC=[N+]3C.[I-]

InChI

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