5-fluoranyl-2-[4-(6-fluoranyl-3,4-dihydro-2H-chromen-8-yl)pyridin-1-ium-1-yl]-2,3-dihydroinden-1-one bromide

Systemtic Name: 5-fluoranyl-2-[4-(6-fluoranyl-3,4-dihydro-2H-chromen-8-yl)pyridin-1-ium-1-yl]-2,3-dihydroinden-1-one bromide Openeye Name: 5-fluoro-2-[4-(6-fluorochroman-8-yl)pyridin-1-ium-1-yl]indan-1-one bromide CAS Name: 5-fluoro-2-[4-(6-fluoro-3,4-dihydro-2H-1-benzopyran-8-yl)-1-pyridin-1-iumyl]-2,3-dihydroinden-1-one bromide IUPAC Name: 5-fluoro-2-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)pyridin-1-ium-1-yl]-2,3-dihydroinden-1-one bromide Traditional Name: 5-fluoro-2-[4-(6-fluorochroman-8-yl)pyridin-1-ium-1-yl]indan-1-one bromide Formula: C23H18BrF2NO2 MolecularWeight: 458.295326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC(=C2)F)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F)OC1.[Br-]

Isomeric SMILES

C1CC2=C(C(=CC(=C2)F)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F)OC1.[Br-]

InChI

InChI=1S/C23H18F2NO2.BrH/c24-17-3-4-19-16(11-17)12-21(22(19)27)26-7-5-14(6-8-26)20-13-18(25)10-15-2-1-9-28-23(15)20;/h3-8,10-11,13,21H,1-2,9,12H2;1H/q+1;/p-1