1-(phenylmethyl)-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine hydrate dihydrochloride

Systemtic Name: 1-(phenylmethyl)-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine hydrate dihydrochloride Openeye Name: 1-benzyl-4-[3-(2-benzyloxyphenoxy)-3-phenyl-propyl]piperazine hydrate dihydrochloride CAS Name: 1-(phenylmethyl)-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine hydrate dihydrochloride IUPAC Name: 1-benzyl-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine hydrate dihydrochloride Traditional Name: 1-[3-(2-benzoxyphenoxy)-3-phenyl-propyl]-4-benzyl-piperazine hydrate dihydrochloride Formula: C33H40Cl2N2O3 MolecularWeight: 583.5883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4)CC5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4)CC5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C33H36N2O2.2ClH.H2O/c1-4-12-28(13-5-1)26-35-24-22-34(23-25-35)21-20-31(30-16-8-3-9-17-30)37-33-19-11-10-18-32(33)36-27-29-14-6-2-7-15-29;;;/h1-19,31H,20-27H2;2*1H;1H2