1-[3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine trihydrate tetrahydrochloride

Systemtic Name: 1-[3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine trihydrate tetrahydrochloride Openeye Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazine trihydrate tetrahydrochloride CAS Name: 1-[3-(2-methoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazine trihydrate tetrahydrochloride IUPAC Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine trihydrate tetrahydrochloride Traditional Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazine trihydrate tetrahydrochloride Formula: C54H74Cl4N4O7 MolecularWeight: 1032.99996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.COC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.O.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.COC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.O.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C27H32N2O2.4ClH.3H2O/c2*1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23;;;;;;;/h2*2-15,25H,16-22H2,1H3;4*1H;3*1H2