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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3)OC.[Br-]

InChI

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