2-fluoranyl-5,6-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-3H-inden-1-one bromide

Systemtic Name: 2-fluoranyl-5,6-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-3H-inden-1-one bromide Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-2-fluoro-5,6-dimethoxy-indan-1-one bromide CAS Name: 2-fluoro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-3H-inden-1-one bromide IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-2-fluoro-5,6-dimethoxy-3H-inden-1-one bromide Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-2-fluoro-5,6-dimethoxy-indan-1-one bromide Formula: C24H23BrFNO3 MolecularWeight: 472.346723

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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.[Br-]

Isomeric SMILES

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

InChI

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