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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-phenylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-phenylphenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C27H32Cl2N2O4 MolecularWeight: 519.45998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)C5=CC=CC=C5)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)C5=CC=CC=C5)O.Cl.Cl

InChI

InChI=1S/C27H30N2O4.2ClH/c30-24(19-31-25-9-7-23(8-10-25)22-4-2-1-3-5-22)18-29-14-12-28(13-15-29)17-21-6-11-26-27(16-21)33-20-32-26;;/h1-11,16,24,30H,12-15,17-20H2;2*1H