2-[4-[6-chloranyl-2-(2-methyl-1-pyrrolidin-1-yl-propan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride

Systemtic Name: 2-[4-[6-chloranyl-2-(2-methyl-1-pyrrolidin-1-yl-propan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride Openeye Name: 2-[4-[6-chloro-2-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride CAS Name: 2-[4-[6-chloro-2-[[2-methyl-1-(1-pyrrolidinyl)propan-2-yl]thio]-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol trihydrochloride IUPAC Name: 2-[4-[6-chloro-2-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride Traditional Name: 2-[4-[6-chloro-2-[(1,1-dimethyl-2-pyrrolidino-ethyl)thio]-1H-benzimidazol-5-yl]piperazino]ethanol trihydrochloride Formula: C21H35Cl4N5OS MolecularWeight: 547.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCCC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl.Cl

Isomeric SMILES

CC(C)(CN1CCCC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl.Cl

InChI

InChI=1S/C21H32ClN5OS.3ClH/c1-21(2,15-26-5-3-4-6-26)29-20-23-17-13-16(22)19(14-18(17)24-20)27-9-7-25(8-10-27)11-12-28;;;/h13-14,28H,3-12,15H2,1-2H3,(H,23,24);3*1H