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

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazino]propan-2-ol dihydrochloride Formula: C25H38Cl2N2O3 MolecularWeight: 485.48682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3.2ClH/c1-19-6-11-24(23(16-19)25(2,3)4)30-18-21(28)17-26-12-14-27(15-13-26)20-7-9-22(29-5)10-8-20;;/h6-11,16,21,28H,12-15,17-18H2,1-5H3;2*1H