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

Systemtic Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol dihydrochloride Formula: C25H38Cl2N2O3 MolecularWeight: 485.48682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl.Cl

InChI

InChI=1S/C25H36N2O3.2ClH/c1-25(2,3)23-16-22(29-4)10-11-24(23)30-19-21(28)18-27-14-12-26(13-15-27)17-20-8-6-5-7-9-20;;/h5-11,16,21,28H,12-15,17-19H2,1-4H3;2*1H