1-[3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine hydrate hydrochloride

Systemtic Name: 1-[3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine hydrate hydrochloride Openeye Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazine hydrate hydrochloride CAS Name: 1-[3-(2-methoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazine hydrate hydrochloride IUPAC Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine hydrate hydrochloride Traditional Name: 1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazine hydrate hydrochloride Formula: C27H35ClN2O3 MolecularWeight: 471.0314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2.ClH.H2O/c1-30-26-14-8-9-15-27(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;;/h2-15,25H,16-22H2,1H3;1H;1H2