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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-tert-butyl-4-methoxyphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C26H38Cl2N2O5 MolecularWeight: 529.49632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5.2ClH/c1-26(2,3)22-14-21(30-4)6-8-23(22)31-17-20(29)16-28-11-9-27(10-12-28)15-19-5-7-24-25(13-19)33-18-32-24;;/h5-8,13-14,20,29H,9-12,15-18H2,1-4H3;2*1H