[3-(C-azaniumylcarbonimidoyl)sulfanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium dibromide

Systemtic Name: [3-(C-azaniumylcarbonimidoyl)sulfanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium dibromide Openeye Name: [3-(azaniumylcarbonimidoyl)sulfanyl-4-hydroxy-4-oxo-butyl]ammonium dibromide CAS Name: [[(4-ammonio-1-hydroxy-1-oxobutan-2-yl)thio]-iminomethyl]ammonium dibromide IUPAC Name: [3-(C-azaniumylcarbonimidoyl)sulfanyl-4-hydroxy-4-oxobutyl]azanium dibromide Traditional Name: [3-[(ammoniocarbonimidoyl)thio]-4-hydroxy-4-keto-butyl]ammonium dibromide Formula: C5H13Br2N3O2S MolecularWeight: 339.04862

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Descriptors Computed from Structure

Canonical SMILES:

C(C[NH3+])C(C(=O)O)SC(=N)[NH3+].[Br-].[Br-]

Isomeric SMILES

C(C[NH3+])C(C(=O)O)SC(=N)[NH3+].[Br-].[Br-]

InChI

InChI=1S/C5H11N3O2S.2BrH/c6-2-1-3(4(9)10)11-5(7)8;;/h3H,1-2,6H2,(H3,7,8)(H,9,10);2*1H