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

Systemtic Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol dihydrochloride Traditional Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(4-methoxyphenyl)piperazino]propan-2-ol dihydrochloride Formula: C21H28Cl2N2O5 MolecularWeight: 459.36342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC4=C(C=C3)OCO4)O.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC4=C(C=C3)OCO4)O.Cl.Cl

InChI

InChI=1S/C21H26N2O5.2ClH/c1-25-18-4-2-16(3-5-18)23-10-8-22(9-11-23)13-17(24)14-26-19-6-7-20-21(12-19)28-15-27-20;;/h2-7,12,17,24H,8-11,13-15H2,1H3;2*1H