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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-6-fluoranyl-2,3-dihydroinden-1-one bromide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-6-fluoro-indan-1-one bromide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-pyridin-1-iumyl]-6-fluoro-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-6-fluoro-2,3-dihydroinden-1-one bromide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-6-fluoro-indan-1-one bromide Formula: C22H17BrFNO3 MolecularWeight: 442.277683

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=C(C=C5)F.[Br-]

Isomeric SMILES

C1COC2=C(C=CC=C2O1)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=C(C=C5)F.[Br-]

InChI

InChI=1S/C22H17FNO3.BrH/c23-16-5-4-15-12-19(21(25)18(15)13-16)24-8-6-14(7-9-24)17-2-1-3-20-22(17)27-11-10-26-20;/h1-9,13,19H,10-12H2;1H/q+1;/p-1