5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one sulfate

Systemtic Name: 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one sulfate Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one sulfate CAS Name: 5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-2,3-dihydroinden-1-one sulfate IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one sulfate Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one sulfate Formula: C24H29NO7S-2 MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C24H29NO3.H2O4S/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;1-5(2,3)4/h3-7,14-15,17,20H,8-13,16H2,1-2H3;(H2,1,2,3,4)/p-2