bis[3-[[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azaniumyl]propyl]azanium trichloride

Systemtic Name: bis[3-[[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azaniumyl]propyl]azanium trichloride Openeye Name: bis[3-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonio]propyl]ammonium trichloride CAS Name: bis[3-[[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]ammonio]propyl]ammonium trichloride IUPAC Name: bis[3-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]azaniumyl]propyl]azanium trichloride Traditional Name: bis[3-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonio]propyl]ammonium trichloride Formula: C18H34Cl3N9O6 MolecularWeight: 578.87826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CC(C[NH2+]CCC[NH2+]CCC[NH2+]CC(CN2C=CN=C2[N+](=O)[O-])O)O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(C[NH2+]CCC[NH2+]CCC[NH2+]CC(CN2C=CN=C2[N+](=O)[O-])O)O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C18H31N9O6.3ClH/c28-15(13-24-9-7-22-17(24)26(30)31)11-20-5-1-3-19-4-2-6-21-12-16(29)14-25-10-8-23-18(25)27(32)33;;;/h7-10,15-16,19-21,28-29H,1-6,11-14H2;3*1H