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

Systemtic Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-yl-ethanone bromide Openeye Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide CAS Name: 2-[4-(2-methoxyphenyl)-1-pyrimidin-1-iumyl]-1-(1-naphthalenyl)ethanone bromide IUPAC Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide Traditional Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide Formula: C23H19BrN2O2 MolecularWeight: 435.31316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C23H19N2O2.BrH/c1-27-23-12-5-4-10-20(23)21-13-14-25(16-24-21)15-22(26)19-11-6-8-17-7-2-3-9-18(17)19;/h2-14,16H,15H2,1H3;1H/q+1;/p-1