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

Systemtic Name: 5,6-dimethoxy-2-[oxidanyl-[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)-hydroxy-methyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[hydroxy-[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)-hydroxy-methyl]-5,6-dimethoxy-indan-1-one Formula: C24H24NO4+ MolecularWeight: 390.45166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-11,13-14,20,23,26H,12,15H2,1-2H3/q+1