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

Systemtic Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-yl-ethanone bromide Openeye Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide CAS Name: 2-[4-(2-fluorophenyl)-1-pyrimidin-1-iumyl]-1-(1-naphthalenyl)ethanone bromide IUPAC Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide Traditional Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide Formula: C22H16BrFN2O MolecularWeight: 423.277643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CN=C(C=C3)C4=CC=CC=C4F.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CN=C(C=C3)C4=CC=CC=C4F.[Br-]

InChI

InChI=1S/C22H16FN2O.BrH/c23-20-11-4-3-9-19(20)21-12-13-25(15-24-21)14-22(26)18-10-5-7-16-6-1-2-8-17(16)18;/h1-13,15H,14H2;1H/q+1;/p-1