3-[(3-azaniumyl-3-oxidanylidene-propyl)amino]propanoylazanium; hydrogen sulfate

Systemtic Name: 3-[(3-azaniumyl-3-oxidanylidene-propyl)amino]propanoylazanium; hydrogen sulfate Openeye Name: 3-[(3-azaniumyl-3-oxo-propyl)amino]propanoylammonium; hydrogen sulfate CAS Name: [3-[(3-ammonio-3-oxopropyl)amino]-1-oxopropyl]ammonium; hydrogen sulfate IUPAC Name: 3-[(3-azaniumyl-3-oxopropyl)amino]propanoylazanium; hydrogen sulfate Traditional Name: 3-[(3-ammonio-3-keto-propyl)amino]propanoylammonium dibisulfate Formula: C6H17N3O10S2 MolecularWeight: 355.34328

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCCC(=O)[NH3+])C(=O)[NH3+].OS(=O)(=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

C(CNCCC(=O)[NH3+])C(=O)[NH3+].OS(=O)(=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C6H13N3O2.2H2O4S/c7-5(10)1-3-9-4-2-6(8)11;2*1-5(2,3)4/h9H,1-4H2,(H2,7,10)(H2,8,11);2*(H2,1,2,3,4)