1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O3.BrH/c1-24-17-7-3-15(4-8-17)19-11-12-22(14-21-19)13-20(23)16-5-9-18(25-2)10-6-16;/h3-12,14H,13H2,1-2H3;1H/q+1;/p-1