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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-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=C(C=C2)C3=CC=NC=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)OC.[Br-]

InChI

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