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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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