1-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone Formula: C21H21N2O3+ MolecularWeight: 349.40304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N2O3/c1-15-5-4-6-16(11-15)18-9-10-23(14-22-18)13-19(24)17-7-8-20(25-2)21(12-17)26-3/h4-12,14H,13H2,1-3H3/q+1