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

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazino]propan-2-ol dihydrochloride Formula: C23H33Cl3N2O2 MolecularWeight: 475.87932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O.Cl.Cl

InChI

InChI=1S/C23H31ClN2O2.2ClH/c1-23(2,3)21-9-4-5-10-22(21)28-17-20(27)16-25-11-13-26(14-12-25)19-8-6-7-18(24)15-19;;/h4-10,15,20,27H,11-14,16-17H2,1-3H3;2*1H