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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl.Cl

InChI

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