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

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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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)C4=CC=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C25H21N2O2.BrH/c1-29-23-13-11-22(12-14-23)25(28)17-27-16-15-24(26-18-27)21-9-7-20(8-10-21)19-5-3-2-4-6-19;/h2-16,18H,17H2,1H3;1H/q+1;/p-1