2-[4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenol hydrochloride

Systemtic Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenol hydrochloride Openeye Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperazin-1-yl]phenol hydrochloride CAS Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-1-piperazinyl]phenol hydrochloride IUPAC Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol hydrochloride Traditional Name: 2-[4-(2-hydroxy-3-piperonyloxy-propyl)piperazino]phenol hydrochloride Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4O.Cl

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4O.Cl

InChI

InChI=1S/C21H26N2O5.ClH/c24-17(14-26-13-16-5-6-20-21(11-16)28-15-27-20)12-22-7-9-23(10-8-22)18-3-1-2-4-19(18)25;/h1-6,11,17,24-25H,7-10,12-15H2;1H