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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol dihydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzhydrylpiperazino)-3-piperonyloxy-propan-2-ol dihydrochloride Formula: C28H34Cl2N2O4 MolecularWeight: 533.48656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H32N2O4.2ClH/c31-25(20-32-19-22-11-12-26-27(17-22)34-21-33-26)18-29-13-15-30(16-14-29)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24;;/h1-12,17,25,28,31H,13-16,18-21H2;2*1H