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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-tert-butylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-tert-butylphenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C25H36Cl2N2O4 MolecularWeight: 499.47034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4.2ClH/c1-25(2,3)20-5-7-22(8-6-20)29-17-21(28)16-27-12-10-26(11-13-27)15-19-4-9-23-24(14-19)31-18-30-23;;/h4-9,14,21,28H,10-13,15-18H2,1-3H3;2*1H