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

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-fluorophenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-fluorophenyl)piperazino]propan-2-ol dihydrochloride Formula: C24H35Cl2FN2O2 MolecularWeight: 473.451303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33FN2O2.2ClH/c1-18-5-10-23(22(15-18)24(2,3)4)29-17-21(28)16-26-11-13-27(14-12-26)20-8-6-19(25)7-9-20;;/h5-10,15,21,28H,11-14,16-17H2,1-4H3;2*1H