6,7-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide

Systemtic Name: 6,7-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-6,7-dimethoxy-indan-1-one bromide CAS Name: 6,7-dimethoxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-6,7-dimethoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-6,7-dimethoxy-indan-1-one bromide Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NO3.BrH/c1-27-21-9-8-19-15-20(23(26)22(19)24(21)28-2)14-17-10-12-25(13-11-17)16-18-6-4-3-5-7-18;/h3-13,20H,14-16H2,1-2H3;1H/q+1;/p-1