2-[4-[2-(2-methyl-1-morpholin-4-yl-propan-2-yl)sulfanyl-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride

Systemtic Name: 2-[4-[2-(2-methyl-1-morpholin-4-yl-propan-2-yl)sulfanyl-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride Openeye Name: 2-[4-[2-(1,1-dimethyl-2-morpholino-ethyl)sulfanyl-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride CAS Name: 2-[4-[2-[[2-methyl-1-(4-morpholinyl)propan-2-yl]thio]-3H-benzimidazol-5-yl]-1-piperazinyl]ethanol trihydrochloride IUPAC Name: 2-[4-[2-(2-methyl-1-morpholin-4-ylpropan-2-yl)sulfanyl-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol trihydrochloride Traditional Name: 2-[4-[2-[(1,1-dimethyl-2-morpholino-ethyl)thio]-3H-benzimidazol-5-yl]piperazino]ethanol trihydrochloride Formula: C21H36Cl3N5O2S MolecularWeight: 528.96684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCOCC1)SC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)CCO.Cl.Cl.Cl

Isomeric SMILES

CC(C)(CN1CCOCC1)SC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)CCO.Cl.Cl.Cl

InChI

InChI=1S/C21H33N5O2S.3ClH/c1-21(2,16-25-10-13-28-14-11-25)29-20-22-18-4-3-17(15-19(18)23-20)26-7-5-24(6-8-26)9-12-27;;;/h3-4,15,27H,5-14,16H2,1-2H3,(H,22,23);3*1H