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

Systemtic Name: 1-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazine hydrate hydrochloride Openeye Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazine hydrate hydrochloride CAS Name: 1-[3-(2-ethoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazine hydrate hydrochloride IUPAC Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenylpropyl]piperazine hydrate hydrochloride Traditional Name: 1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazine hydrate hydrochloride Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2.ClH.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;1H;1H2