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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C26H23BrN2O3 MolecularWeight: 491.37642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)OC.[Br-]

InChI

InChI=1S/C26H23N2O3.BrH/c1-30-25-13-12-22(16-26(25)31-2)24(29)17-28-15-14-23(27-18-28)21-10-8-20(9-11-21)19-6-4-3-5-7-19;/h3-16,18H,17H2,1-2H3;1H/q+1;/p-1