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

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazino]propan-2-ol dihydrochloride Formula: C24H35Cl3N2O2 MolecularWeight: 489.9059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN2O2.2ClH/c1-18-8-9-23(22(14-18)24(2,3)4)29-17-21(28)16-26-10-12-27(13-11-26)20-7-5-6-19(25)15-20;;/h5-9,14-15,21,28H,10-13,16-17H2,1-4H3;2*1H