1-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[2-(2-pyridinyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C20H19BrN2O3 MolecularWeight: 415.28046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2C3=CC=CC=N3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2C3=CC=CC=N3)OC.[Br-]

InChI

InChI=1S/C20H19N2O3.BrH/c1-24-19-10-9-15(13-20(19)25-2)18(23)14-22-12-6-4-8-17(22)16-7-3-5-11-21-16;/h3-13H,14H2,1-2H3;1H/q+1;/p-1