1-(4-methoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-one bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-one bromide Openeye Name: 1-(4-methoxyphenyl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]propan-1-one bromide CAS Name: 1-(4-methoxyphenyl)-2-[2-(2-pyridinyl)-1-pyridin-1-iumyl]-1-propanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-one bromide Traditional Name: 1-(4-methoxyphenyl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]propan-1-one bromide Formula: C20H19BrN2O2 MolecularWeight: 399.28106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O2.BrH/c1-15(20(23)16-9-11-17(24-2)12-10-16)22-14-6-4-8-19(22)18-7-3-5-13-21-18;/h3-15H,1-2H3;1H/q+1;/p-1