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

Systemtic Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-yloxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol hydrochloride CAS Name: 1-(1,3-benzodioxol-5-yloxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-yloxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol hydrochloride Traditional Name: 1-(1,3-benzodioxol-5-yloxy)-3-(4-benzylpiperazino)propan-2-ol hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OCO4)O.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OCO4)O.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c24-18(15-25-19-6-7-20-21(12-19)27-16-26-20)14-23-10-8-22(9-11-23)13-17-4-2-1-3-5-17;/h1-7,12,18,24H,8-11,13-16H2;1H