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

Systemtic Name: 2-fluoranyl-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-5,6-dipropoxy-3H-inden-1-one hydrochloride Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-fluoro-5,6-dipropoxy-indan-1-one hydrochloride CAS Name: 2-fluoro-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-5,6-dipropoxy-3H-inden-1-one hydrochloride IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-5,6-dipropoxy-3H-inden-1-one hydrochloride Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-fluoro-5,6-dipropoxy-indan-1-one hydrochloride Formula: C28H37ClFNO3 MolecularWeight: 490.049683

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)F)OCCC.Cl

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)F)OCCC.Cl

InChI

InChI=1S/C28H36FNO3.ClH/c1-3-14-32-25-16-23-19-28(29,27(31)24(23)17-26(25)33-15-4-2)18-21-10-12-30(13-11-21)20-22-8-6-5-7-9-22;/h5-9,16-17,21H,3-4,10-15,18-20H2,1-2H3;1H