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

Systemtic Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 5-methoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 5-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/c1-17-8-4-3-5-15(17)14-10-11-9-12(19-2)6-7-13(11)16(14)18;/h3-9,14H,10H2,1-2H3;1H/q+1;/p-1