5,6,7-trimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide

Systemtic Name: 5,6,7-trimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 5,6,7-trimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 5,6,7-trimethoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 5,6,7-trimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 5,6,7-trimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2CC3=CC(=C(C(=C3C2=O)OC)OC)OC.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2CC3=CC(=C(C(=C3C2=O)OC)OC)OC.[Br-]

InChI

InChI=1S/C18H20NO4.BrH/c1-19-8-6-5-7-13(19)12-9-11-10-14(21-2)17(22-3)18(23-4)15(11)16(12)20;/h5-8,10,12H,9H2,1-4H3;1H/q+1;/p-1