4-azaniumylbutyl-(3-azaniumylpropyl)-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium trichloride

Systemtic Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium trichloride Openeye Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonium trichloride CAS Name: 4-ammoniobutyl-(3-ammoniopropyl)-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]ammonium trichloride IUPAC Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]azanium trichloride Traditional Name: 4-ammoniobutyl-(3-ammoniopropyl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonium trichloride Formula: C13H29Cl3N6O3 MolecularWeight: 423.76676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CC(C[NH+](CCCC[NH3+])CCC[NH3+])O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(C[NH+](CCCC[NH3+])CCC[NH3+])O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C13H26N6O3.3ClH/c14-4-1-2-7-17(8-3-5-15)10-12(20)11-18-9-6-16-13(18)19(21)22;;;/h6,9,12,20H,1-5,7-8,10-11,14-15H2;3*1H