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

Systemtic Name: 2-[2-(3-chlorophenyl)-1,3-dioxan-5-yl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[2-(3-chlorophenyl)-1,3-dioxan-5-yl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[2-(3-chlorophenyl)-1,3-dioxan-5-yl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[2-(3-chlorophenyl)-1,3-dioxan-5-yl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[2-(3-chlorophenyl)-1,3-dioxan-5-yl]-1-methyl-pyridin-1-ium iodide Formula: C16H17ClINO2 MolecularWeight: 417.66915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClNO2.HI/c1-18-8-3-2-7-15(18)13-10-19-16(20-11-13)12-5-4-6-14(17)9-12;/h2-9,13,16H,10-11H2,1H3;1H/q+1;/p-1