1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-tert-butylcyclohexoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(4-tert-butylcyclohexoxy)-3-[4-(3-chlorophenyl)piperazino]propan-2-ol dihydrochloride Formula: C23H39Cl3N2O2 MolecularWeight: 481.92696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O.Cl.Cl

InChI

InChI=1S/C23H37ClN2O2.2ClH/c1-23(2,3)18-7-9-22(10-8-18)28-17-21(27)16-25-11-13-26(14-12-25)20-6-4-5-19(24)15-20;;/h4-6,15,18,21-22,27H,7-14,16-17H2,1-3H3;2*1H