1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-ethyl-1-methyl-prop-2-ynoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-methylpent-1-yn-3-yloxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride Traditional Name: 1-(1-ethyl-1-methyl-prop-2-ynoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C21H32Cl2N2O4 MolecularWeight: 447.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)O.Cl.Cl

Isomeric SMILES

CCC(C)(C#C)OCC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)O.Cl.Cl

InChI

InChI=1S/C21H30N2O4.2ClH/c1-4-21(3,5-2)27-15-18(24)14-23-10-8-22(9-11-23)13-17-6-7-19-20(12-17)26-16-25-19;;/h1,6-7,12,18,24H,5,8-11,13-16H2,2-3H3;2*1H