1-(4-chlorophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Formula: C18H14BrClN2O MolecularWeight: 389.67356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C18H14ClN2O.BrH/c19-16-8-6-15(7-9-16)18(22)12-21-11-10-17(20-13-21)14-4-2-1-3-5-14;/h1-11,13H,12H2;1H/q+1;/p-1