2-[4-[6-chloranyl-2-(oxan-4-ylmethylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-[6-chloranyl-2-(oxan-4-ylmethylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[6-chloro-2-(tetrahydropyran-4-ylmethylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[6-chloro-2-(4-oxanylmethylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[6-chloro-2-(oxan-4-ylmethylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[6-chloro-2-(tetrahydropyran-4-ylmethylthio)-1H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C19H29Cl3N4O2S MolecularWeight: 483.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl

Isomeric SMILES

C1COCCC1CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl

InChI

InChI=1S/C19H27ClN4O2S.2ClH/c20-15-11-16-17(12-18(15)24-5-3-23(4-6-24)7-8-25)22-19(21-16)27-13-14-1-9-26-10-2-14;;/h11-12,14,25H,1-10,13H2,(H,21,22);2*1H