2-[4-(3,4-dihydro-2H-thiochromen-8-yl)pyridin-1-ium-1-yl]-5-fluoranyl-2,3-dihydroinden-1-one bromide

Systemtic Name: 2-[4-(3,4-dihydro-2H-thiochromen-8-yl)pyridin-1-ium-1-yl]-5-fluoranyl-2,3-dihydroinden-1-one bromide Openeye Name: 5-fluoro-2-(4-thiochroman-8-ylpyridin-1-ium-1-yl)indan-1-one bromide CAS Name: 2-[4-(3,4-dihydro-2H-1-benzothiopyran-8-yl)-1-pyridin-1-iumyl]-5-fluoro-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(3,4-dihydro-2H-thiochromen-8-yl)pyridin-1-ium-1-yl]-5-fluoro-2,3-dihydroinden-1-one bromide Traditional Name: 5-fluoro-2-(4-thiochroman-8-ylpyridin-1-ium-1-yl)indan-1-one bromide Formula: C23H19BrFNOS MolecularWeight: 456.370463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC(=C2SC1)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F.[Br-]

Isomeric SMILES

C1CC2=CC=CC(=C2SC1)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F.[Br-]

InChI

InChI=1S/C23H19FNOS.BrH/c24-18-6-7-19-17(13-18)14-21(22(19)26)25-10-8-15(9-11-25)20-5-1-3-16-4-2-12-27-23(16)20;/h1,3,5-11,13,21H,2,4,12,14H2;1H/q+1;/p-1