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

Systemtic Name: 3-azaniumylpropyl-[4-[[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azaniumyl]butyl]azanium trichloride Openeye Name: 3-azaniumylpropyl-[4-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonio]butyl]ammonium trichloride CAS Name: 3-ammoniopropyl-[4-[[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]ammonio]butyl]ammonium trichloride IUPAC Name: 3-azaniumylpropyl-[4-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]azaniumyl]butyl]azanium trichloride Traditional Name: 3-ammoniopropyl-[4-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonio]butyl]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[NH2+]CCCC[NH2+]CCC[NH3+])O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(C[NH2+]CCCC[NH2+]CCC[NH3+])O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C13H26N6O3.3ClH/c14-4-3-7-15-5-1-2-6-16-10-12(20)11-18-9-8-17-13(18)19(21)22;;;/h8-9,12,15-16,20H,1-7,10-11,14H2;3*1H