(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)-[azanyl(sulfanyl)methylidene]azanium dibromide

Systemtic Name: (4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)-[azanyl(sulfanyl)methylidene]azanium dibromide Openeye Name: (4-amino-5-hydroxy-5-oxo-pentyl)-[amino(sulfanyl)methylene]ammonium dibromide CAS Name: (4-amino-5-hydroxy-5-oxopentyl)-[amino(mercapto)methylidene]ammonium dibromide IUPAC Name: (4-amino-5-hydroxy-5-oxopentyl)-[amino(sulfanyl)methylidene]azanium dibromide Traditional Name: (4-amino-5-hydroxy-5-keto-pentyl)-[amino(mercapto)methylene]ammonium dibromide Formula: C12H28Br2N6O4S2 MolecularWeight: 544.32652

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)C[NH+]=C(N)S.C(CC(C(=O)O)N)C[NH+]=C(N)S.[Br-].[Br-]

Isomeric SMILES

C(CC(C(=O)O)N)C[NH+]=C(N)S.C(CC(C(=O)O)N)C[NH+]=C(N)S.[Br-].[Br-]

InChI

InChI=1S/2C6H13N3O2S.2BrH/c2*7-4(5(10)11)2-1-3-9-6(8)12;;/h2*4H,1-3,7H2,(H,10,11)(H3,8,9,12);2*1H