[(4S)-4-azaniumyl-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium dichloride

Systemtic Name: [(4S)-4-azaniumyl-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium dichloride Openeye Name: [(4S)-4-azaniumyl-5-hydroxy-5-oxo-pentyl]-(diaminomethylene)ammonium dichloride CAS Name: [(4S)-4-ammonio-5-hydroxy-5-oxopentyl]-(diaminomethylidene)ammonium dichloride IUPAC Name: [(4S)-4-azaniumyl-5-hydroxy-5-oxopentyl]-(diaminomethylidene)azanium dichloride Traditional Name: [(4S)-4-ammonio-5-hydroxy-5-keto-pentyl]-(diaminomethylene)ammonium dichloride Formula: C6H16Cl2N4O2 MolecularWeight: 248.115495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(C[C@@H]([13C](=O)O)[NH3+])C[NH+]=C(N)N.[Cl-].[Cl-]

InChI

InChI=1S/C6H14N4O2.2ClH/c7-4(5(11)12)2-1-3-10-6(8)9;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*1H/t4-;;/m0../s1/i5+1;;