1-(4-chlorophenyl)-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-(2-naphthalenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C22H16BrClN2O MolecularWeight: 439.73224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H16ClN2O.BrH/c23-20-9-7-17(8-10-20)22(26)14-25-12-11-21(24-15-25)19-6-5-16-3-1-2-4-18(16)13-19;/h1-13,15H,14H2;1H/q+1;/p-1