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

Systemtic Name: 2-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[[1-[(3-fluorophenyl)methyl]-4-pyridin-1-iumyl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[[1-(3-fluorobenzyl)pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-indan-1-one Formula: C24H23FNO3+ MolecularWeight: 392.442723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=[N+](C=C3)CC4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=[N+](C=C3)CC4=CC(=CC=C4)F)OC

InChI

InChI=1S/C24H23FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-9,11,13-14,19H,10,12,15H2,1-2H3/q+1