1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone

Systemtic Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Openeye Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone IUPAC Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Traditional Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Formula: C21H21N2O4+ MolecularWeight: 365.40244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N2O4/c1-25-19-11-16(12-20(26-2)21(19)27-3)17-9-10-23(14-22-17)13-18(24)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3/q+1