1-(3,4-dimethoxyphenyl)-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(1-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(1-naphthalenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(1-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C24H21BrN2O3 MolecularWeight: 465.33914

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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=CC4=CC=CC=C43)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CC4=CC=CC=C43)OC.[Br-]

InChI

InChI=1S/C24H21N2O3.BrH/c1-28-23-11-10-18(14-24(23)29-2)22(27)15-26-13-12-21(25-16-26)20-9-5-7-17-6-3-4-8-19(17)20;/h3-14,16H,15H2,1-2H3;1H/q+1;/p-1