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

Systemtic Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide CAS Name: 2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide Traditional Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide Formula: C22H16BrClN2O MolecularWeight: 439.73224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CN=C(C=C3)C4=CC(=CC=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CN=C(C=C3)C4=CC(=CC=C4)Cl.[Br-]

InChI

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