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

Systemtic Name: 7-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 7-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 7-methoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 7-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 7-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2.BrH/c1-17-9-4-3-7-13(17)12-10-11-6-5-8-14(19-2)15(11)16(12)18;/h3-9,12H,10H2,1-2H3;1H/q+1;/p-1