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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-bromanylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-bromophenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-bromophenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-bromophenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-bromophenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C21H27BrCl2N2O4 MolecularWeight: 522.26008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Br)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Br)O.Cl.Cl

InChI

InChI=1S/C21H25BrN2O4.2ClH/c22-17-2-4-19(5-3-17)26-14-18(25)13-24-9-7-23(8-10-24)12-16-1-6-20-21(11-16)28-15-27-20;;/h1-6,11,18,25H,7-10,12-15H2;2*1H