N-[1-(3-azanylpropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate trihydrochloride

Systemtic Name: N-[1-(3-azanylpropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate trihydrochloride Openeye Name: N-[1-(3-aminopropyl)-4-piperidyl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate trihydrochloride CAS Name: N-[1-(3-aminopropyl)-4-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-benzimidazolamine hydrate trihydrochloride IUPAC Name: N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate trihydrochloride Traditional Name: [1-(3-aminopropyl)-4-piperidyl]-[1-(4-fluorobenzyl)benzimidazol-2-yl]amine hydrate trihydrochloride Formula: C22H33Cl3FN5O MolecularWeight: 508.887723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCCN.O.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCCN.O.Cl.Cl.Cl

InChI

InChI=1S/C22H28FN5.3ClH.H2O/c23-18-8-6-17(7-9-18)16-28-21-5-2-1-4-20(21)26-22(28)25-19-10-14-27(15-11-19)13-3-12-24;;;;/h1-2,4-9,19H,3,10-16,24H2,(H,25,26);3*1H;1H2