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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=[N+](C=C2)CC(=O)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)23-14-15-28(18-27-23)17-24(29)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