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

Systemtic Name: 2-[[1-[(4-hydroxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Openeye Name: 2-[[1-[(4-hydroxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-indan-1-one bromide CAS Name: 2-[[1-[(4-hydroxyphenyl)methyl]-4-pyridin-1-iumyl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[[1-[(4-hydroxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-[[1-(4-hydroxybenzyl)pyridin-1-ium-4-yl]methyl]-5,6-dimethoxy-indan-1-one bromide Formula: C24H24BrNO4 MolecularWeight: 470.35566

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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=C(C=C4)O)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4.BrH/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-25(10-8-16)15-17-3-5-20(26)6-4-17;/h3-10,13-14,19H,11-12,15H2,1-2H3;1H