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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5,6-dimethoxy-indan-1-one bromide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-pyridin-1-iumyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5,6-dimethoxy-indan-1-one bromide Formula: C24H22BrNO5 MolecularWeight: 484.33918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)[N+]3=CC=C(C=C3)C4=C5C(=CC=C4)OCCO5)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)[N+]3=CC=C(C=C3)C4=C5C(=CC=C4)OCCO5)OC.[Br-]

InChI

InChI=1S/C24H22NO5.BrH/c1-27-21-13-16-12-19(23(26)18(16)14-22(21)28-2)25-8-6-15(7-9-25)17-4-3-5-20-24(17)30-11-10-29-20;/h3-9,13-14,19H,10-12H2,1-2H3;1H/q+1;/p-1