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

Systemtic Name: 1-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine hydrate dihydrochloride Openeye Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazine hydrate dihydrochloride CAS Name: 1-[3-(2-ethoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazine hydrate dihydrochloride IUPAC Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenylpropyl]piperazine hydrate dihydrochloride Traditional Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazine hydrate dihydrochloride Formula: C28H38Cl2N2O3 MolecularWeight: 521.51892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

CCOC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/C28H34N2O2.2ClH.H2O/c1-2-31-27-15-9-10-16-28(27)32-26(25-13-7-4-8-14-25)17-18-29-19-21-30(22-20-29)23-24-11-5-3-6-12-24;;;/h3-16,26H,2,17-23H2,1H3;2*1H;1H2