1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-2-ol dihydrochloride Formula: C25H37Cl3N2O2 MolecularWeight: 503.93248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O)C(C)(C)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C25H35ClN2O2.2ClH/c1-18-6-9-24(22(14-18)25(3,4)5)30-17-21(29)16-27-10-12-28(13-11-27)23-15-20(26)8-7-19(23)2;;/h6-9,14-15,21,29H,10-13,16-17H2,1-5H3;2*1H