5,6,7-trimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6,7-trimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-5,6,7-trimethoxy-indan-1-one CAS Name: 5,6,7-trimethoxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-2,3-dihydroinden-1-one IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-5,6,7-trimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-5,6,7-trimethoxy-indan-1-one Formula: C25H26NO4+ MolecularWeight: 404.47824

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO4/c1-28-21-15-19-14-20(23(27)22(19)25(30-3)24(21)29-2)13-17-9-11-26(12-10-17)16-18-7-5-4-6-8-18/h4-12,15,20H,13-14,16H2,1-3H3/q+1