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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2COC(OC2)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2COC(OC2)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H20NO2.HI/c1-18-10-6-5-9-16(18)15-12-19-17(20-13-15)11-14-7-3-2-4-8-14;/h2-10,15,17H,11-13H2,1H3;1H/q+1;/p-1