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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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