2-[4-[6-chloranyl-2-(8-oxabicyclo[3.2.1]octan-3-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-[6-chloranyl-2-(8-oxabicyclo[3.2.1]octan-3-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[6-chloro-2-(8-oxabicyclo[3.2.1]octan-3-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[6-chloro-2-(8-oxabicyclo[3.2.1]octan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[6-chloro-2-(8-oxabicyclo[3.2.1]octan-3-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[6-chloro-2-(8-oxabicyclo[3.2.1]octan-3-ylthio)-1H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C20H29Cl3N4O2S MolecularWeight: 495.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1O2)SC3=NC4=CC(=C(C=C4N3)Cl)N5CCN(CC5)CCO.Cl.Cl

Isomeric SMILES

C1CC2CC(CC1O2)SC3=NC4=CC(=C(C=C4N3)Cl)N5CCN(CC5)CCO.Cl.Cl

InChI

InChI=1S/C20H27ClN4O2S.2ClH/c21-16-11-17-18(12-19(16)25-5-3-24(4-6-25)7-8-26)23-20(22-17)28-15-9-13-1-2-14(10-15)27-13;;/h11-15,26H,1-10H2,(H,22,23);2*1H