2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-(4-chlorophenyl)ethanone hydrochloride

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-(4-chlorophenyl)ethanone hydrochloride Openeye Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidyl]-1-(4-chlorophenyl)ethanone hydrochloride CAS Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-chlorophenyl)ethanone hydrochloride IUPAC Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-(4-chlorophenyl)ethanone hydrochloride Traditional Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidino]-1-(4-chlorophenyl)ethanone hydrochloride Formula: C27H26Cl2FNO4 MolecularWeight: 518.404043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC(=O)C5=CC=C(C=C5)Cl.Cl

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC(=O)C5=CC=C(C=C5)Cl.Cl

InChI

InChI=1S/C27H25ClFNO4.ClH/c28-21-5-1-19(2-6-21)25(31)15-30-12-11-24(18-3-7-22(29)8-4-18)20(14-30)16-32-23-9-10-26-27(13-23)34-17-33-26;/h1-10,13,20,24H,11-12,14-17H2;1H