4,5-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide

Systemtic Name: 4,5-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 4,5-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 4,5-dimethoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 4,5-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 4,5-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=CC(=C3OC)OC.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2CC3=C(C2=O)C=CC(=C3OC)OC.[Br-]

InChI

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