[5-[(1S,2S)-3-azaniumyl-2-chloranyl-1-oxidanyl-propyl]-1H-imidazol-2-yl]azanium dichloride

Systemtic Name: [5-[(1S,2S)-3-azaniumyl-2-chloranyl-1-oxidanyl-propyl]-1H-imidazol-2-yl]azanium dichloride Openeye Name: [5-[(1S,2S)-3-azaniumyl-2-chloro-1-hydroxy-propyl]-1H-imidazol-2-yl]ammonium dichloride CAS Name: [5-[(1S,2S)-3-ammonio-2-chloro-1-hydroxypropyl]-1H-imidazol-2-yl]ammonium dichloride IUPAC Name: [5-[(1S,2S)-3-azaniumyl-2-chloro-1-hydroxypropyl]-1H-imidazol-2-yl]azanium dichloride Traditional Name: [5-[(1S,2S)-3-ammonio-2-chloro-1-hydroxy-propyl]-1H-imidazol-2-yl]ammonium dichloride Formula: C6H13Cl3N4O MolecularWeight: 263.55262

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=N1)[NH3+])C(C(C[NH3+])Cl)O.[Cl-].[Cl-]

Isomeric SMILES

C1=C(NC(=N1)[NH3+])[C@@H]([C@H](C[NH3+])Cl)O.[Cl-].[Cl-]

InChI

InChI=1S/C6H11ClN4O.2ClH/c7-3(1-8)5(12)4-2-10-6(9)11-4;;/h2-3,5,12H,1,8H2,(H3,9,10,11);2*1H/t3-,5+;;/m0../s1