3-(1H-benzimidazol-2-yl)-4-quinolin-8-yl-butane-1,3-diamine hydrate trihydrochloride

Systemtic Name: 3-(1H-benzimidazol-2-yl)-4-quinolin-8-yl-butane-1,3-diamine hydrate trihydrochloride Openeye Name: 3-(1H-benzimidazol-2-yl)-4-(8-quinolyl)butane-1,3-diamine hydrate trihydrochloride CAS Name: 3-(1H-benzimidazol-2-yl)-4-(8-quinolinyl)butane-1,3-diamine hydrate trihydrochloride IUPAC Name: 3-(1H-benzimidazol-2-yl)-4-quinolin-8-ylbutane-1,3-diamine hydrate trihydrochloride Traditional Name: [3-amino-3-(1H-benzimidazol-2-yl)-4-(8-quinolyl)butyl]amine hydrate trihydrochloride Formula: C20H26Cl3N5O MolecularWeight: 458.81234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(CCN)(CC3=CC=CC4=C3N=CC=C4)N.O.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(CCN)(CC3=CC=CC4=C3N=CC=C4)N.O.Cl.Cl.Cl

InChI

InChI=1S/C20H21N5.3ClH.H2O/c21-11-10-20(22,19-24-16-8-1-2-9-17(16)25-19)13-15-6-3-5-14-7-4-12-23-18(14)15;;;;/h1-9,12H,10-11,13,21-22H2,(H,24,25);3*1H;1H2