5,6-diethoxy-2-fluoranyl-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one hydrochloride

Systemtic Name: 5,6-diethoxy-2-fluoranyl-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one hydrochloride Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-diethoxy-2-fluoro-indan-1-one hydrochloride CAS Name: 5,6-diethoxy-2-fluoro-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one hydrochloride IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-diethoxy-2-fluoro-3H-inden-1-one hydrochloride Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-diethoxy-2-fluoro-indan-1-one hydrochloride Formula: C26H33ClFNO3 MolecularWeight: 461.996523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)F)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)F)OCC.Cl

InChI

InChI=1S/C26H32FNO3.ClH/c1-3-30-23-14-21-17-26(27,25(29)22(21)15-24(23)31-4-2)16-19-10-12-28(13-11-19)18-20-8-6-5-7-9-20;/h5-9,14-15,19H,3-4,10-13,16-18H2,1-2H3;1H