2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-[2-[(4-fluorophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C21H19BrFNOS MolecularWeight: 432.349063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCSC3=CC=C(C=C3)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCSC3=CC=C(C=C3)F.[Br-]

InChI

InChI=1S/C21H19FNOS.BrH/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18;/h1-11,13-14H,12,15-16H2;1H/q+1;/p-1