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

Systemtic Name: 1-(4-chlorophenyl)-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-(1-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-(1-naphthalenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(1-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(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-]

InChI

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