6,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide

Systemtic Name: 6,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 6,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 6,7-dimethoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 6,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 6,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2CC3=C(C2=O)C(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2CC3=C(C2=O)C(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C17H18NO3.BrH/c1-18-9-5-4-6-13(18)12-10-11-7-8-14(20-2)17(21-3)15(11)16(12)19;/h4-9,12H,10H2,1-3H3;1H/q+1;/p-1