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

Systemtic Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Formula: C19H16BrClN2O2 MolecularWeight: 419.69954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC(=CC=C3)Cl.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC(=CC=C3)Cl.[Br-]

InChI

InChI=1S/C19H16ClN2O2.BrH/c1-24-17-7-3-5-15(11-17)19(23)12-22-9-8-18(21-13-22)14-4-2-6-16(20)10-14;/h2-11,13H,12H2,1H3;1H/q+1;/p-1