1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-pyridin-2-yl-piperazine dihydrate trihydrochloride

Systemtic Name: 1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-pyridin-2-yl-piperazine dihydrate trihydrochloride Openeye Name: 1-[[5-(4-fluorophenyl)-3-pyridyl]methyl]-4-(2-pyridyl)piperazine dihydrate trihydrochloride CAS Name: 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-(2-pyridinyl)piperazine dihydrate trihydrochloride IUPAC Name: 1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-pyridin-2-ylpiperazine dihydrate trihydrochloride Traditional Name: 1-[[5-(4-fluorophenyl)-3-pyridyl]methyl]-4-(2-pyridyl)piperazine dihydrate trihydrochloride Formula: C21H28Cl3FN4O2 MolecularWeight: 493.830023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC(=C2)C3=CC=C(C=C3)F)C4=CC=CC=N4.O.O.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC(=C2)C3=CC=C(C=C3)F)C4=CC=CC=N4.O.O.Cl.Cl.Cl

InChI

InChI=1S/C21H21FN4.3ClH.2H2O/c22-20-6-4-18(5-7-20)19-13-17(14-23-15-19)16-25-9-11-26(12-10-25)21-3-1-2-8-24-21;;;;;/h1-8,13-15H,9-12,16H2;3*1H;2*1H2