1-(1-ethynylcyclohexyl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(1-ethynylcyclohexyl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(1-ethynylcyclohexoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(1-ethynylcyclohexyl)oxy-3-[4-(2-fluorophenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(1-ethynylcyclohexyl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(1-ethynylcyclohexoxy)-3-[4-(2-fluorophenyl)piperazino]propan-2-ol dihydrochloride Formula: C21H31Cl2FN2O2 MolecularWeight: 433.387443

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O.Cl.Cl

Isomeric SMILES

C#CC1(CCCCC1)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O.Cl.Cl

InChI

InChI=1S/C21H29FN2O2.2ClH/c1-2-21(10-6-3-7-11-21)26-17-18(25)16-23-12-14-24(15-13-23)20-9-5-4-8-19(20)22;;/h1,4-5,8-9,18,25H,3,6-7,10-17H2;2*1H