[(3S)-3-azaniumyl-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]-methyl-azanium dichloride

Systemtic Name: [(3S)-3-azaniumyl-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]-methyl-azanium dichloride Openeye Name: [(3S)-3-azaniumyl-5-hydroxy-5-oxo-pentyl]-(diaminomethylene)-methyl-ammonium dichloride CAS Name: [(3S)-3-ammonio-5-hydroxy-5-oxopentyl]-(diaminomethylidene)-methylammonium dichloride IUPAC Name: [(3S)-3-azaniumyl-5-hydroxy-5-oxopentyl]-(diaminomethylidene)-methylazanium dichloride Traditional Name: [(3S)-3-ammonio-5-hydroxy-5-keto-pentyl]-(diaminomethylene)-methyl-ammonium dichloride Formula: C7H18Cl2N4O2 MolecularWeight: 261.14942

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(N)N)CCC(CC(=O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[N+](=C(N)N)CC[C@@H](CC(=O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C7H16N4O2.2ClH/c1-11(7(9)10)3-2-5(8)4-6(12)13;;/h5H,2-4,8H2,1H3,(H4,9,10,12,13);2*1H/t5-;;/m0../s1