2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C18H14BrClN2O MolecularWeight: 389.67356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC(=CC=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC(=CC=C3)Cl.[Br-]

InChI

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