N'-[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]propane-1,3-diamine hydrate trihydrochloride

Systemtic Name: N'-[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]propane-1,3-diamine hydrate trihydrochloride Openeye Name: N'-[1-(8-quinolylmethyl)benzimidazol-2-yl]propane-1,3-diamine hydrate trihydrochloride CAS Name: N'-[1-(8-quinolinylmethyl)-2-benzimidazolyl]propane-1,3-diamine hydrate trihydrochloride IUPAC Name: N'-[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]propane-1,3-diamine hydrate trihydrochloride Traditional Name: 3-aminopropyl-[1-(8-quinolylmethyl)benzimidazol-2-yl]amine hydrate trihydrochloride Formula: C20H26Cl3N5O MolecularWeight: 458.81234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC=CC4=C3N=CC=C4)NCCCN.O.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=CC4=C3N=CC=C4)NCCCN.O.Cl.Cl.Cl

InChI

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