1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-(2-allylphenoxy)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-prop-2-enylphenoxy)-2-propanol hydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-(2-allylphenoxy)-3-(4-piperonylpiperazino)propan-2-ol hydrochloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl

InChI

InChI=1S/C24H30N2O4.ClH/c1-2-5-20-6-3-4-7-22(20)28-17-21(27)16-26-12-10-25(11-13-26)15-19-8-9-23-24(14-19)30-18-29-23;/h2-4,6-9,14,21,27H,1,5,10-13,15-18H2;1H