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

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[4-(3,4,5-trimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2O5.BrH/c1-26-17-7-5-15(6-8-17)19(25)13-24-10-9-18(23-14-24)16-11-20(27-2)22(29-4)21(12-16)28-3;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1