5,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one chloride

Systemtic Name: 5,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one chloride Openeye Name: 5,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one chloride CAS Name: 5,7-dimethoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one chloride IUPAC Name: 5,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one chloride Traditional Name: 5,7-dimethoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one chloride Formula: C17H18ClNO3 MolecularWeight: 319.78272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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