1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-tert-butyl-4-methylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C26H38Cl2N2O4 MolecularWeight: 513.49692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)(C)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C26H36N2O4.2ClH/c1-19-5-7-23(22(13-19)26(2,3)4)30-17-21(29)16-28-11-9-27(10-12-28)15-20-6-8-24-25(14-20)32-18-31-24;;/h5-8,13-14,21,29H,9-12,15-18H2,1-4H3;2*1H