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

Systemtic Name: 4-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Openeye Name: 4-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide CAS Name: 4-methoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one bromide IUPAC Name: 4-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one bromide Traditional Name: 4-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one bromide Formula: C16H16BrNO2 MolecularWeight: 334.20774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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