1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-pyridinyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-pyridyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC=C3C4=CC=CC=N4.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC=C3C4=CC=CC=N4.[Br-]

InChI

InChI=1S/C20H17N2O3.BrH/c23-18(15-7-8-19-20(13-15)25-12-11-24-19)14-22-10-4-2-6-17(22)16-5-1-3-9-21-16;/h1-10,13H,11-12,14H2;1H/q+1;/p-1