5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide

Systemtic Name: 5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide Openeye Name: 5,6-dimethoxy-2-[[1-(m-tolylmethyl)pyridin-1-ium-4-yl]methyl]indan-1-one bromide CAS Name: 5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]-4-pyridin-1-iumyl]methyl]-2,3-dihydroinden-1-one bromide IUPAC Name: 5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide Traditional Name: 5,6-dimethoxy-2-[[1-(3-methylbenzyl)pyridin-1-ium-4-yl]methyl]indan-1-one bromide Formula: C25H26BrNO3 MolecularWeight: 468.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2=CC=C(C=C2)CC3CC4=CC(=C(C=C4C3=O)OC)OC.[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2=CC=C(C=C2)CC3CC4=CC(=C(C=C4C3=O)OC)OC.[Br-]

InChI

InChI=1S/C25H26NO3.BrH/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27;/h4-11,14-15,21H,12-13,16H2,1-3H3;1H/q+1;/p-1