1-(3-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Formula: C19H17BrN2O2 MolecularWeight: 385.25448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N2O2.BrH/c1-23-17-9-5-8-16(12-17)19(22)13-21-11-10-18(20-14-21)15-6-3-2-4-7-15;/h2-12,14H,13H2,1H3;1H/q+1;/p-1