[(2R,3R,4S)-4-azaniumyl-2-(5-oxidanyl-5-oxidanylidene-pentyl)thiolan-3-yl]azanium dibromide

Systemtic Name: [(2R,3R,4S)-4-azaniumyl-2-(5-oxidanyl-5-oxidanylidene-pentyl)thiolan-3-yl]azanium dibromide Openeye Name: [(2R,3R,4S)-4-azaniumyl-2-(5-hydroxy-5-oxo-pentyl)tetrahydrothiophen-3-yl]ammonium dibromide CAS Name: [(2R,3R,4S)-4-ammonio-2-(5-hydroxy-5-oxopentyl)-3-thiolanyl]ammonium dibromide IUPAC Name: [(2R,3R,4S)-4-azaniumyl-2-(5-hydroxy-5-oxopentyl)thiolan-3-yl]azanium dibromide Traditional Name: [(2R,3R,4S)-4-ammonio-2-(5-hydroxy-5-keto-pentyl)tetrahydrothiophen-3-yl]ammonium dibromide Formula: C9H20Br2N2O2S MolecularWeight: 380.1403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)CCCCC(=O)O)[NH3+])[NH3+].[Br-].[Br-]

Isomeric SMILES

C1[C@H]([C@H]([C@H](S1)CCCCC(=O)O)[NH3+])[NH3+].[Br-].[Br-]

InChI

InChI=1S/C9H18N2O2S.2BrH/c10-6-5-14-7(9(6)11)3-1-2-4-8(12)13;;/h6-7,9H,1-5,10-11H2,(H,12,13);2*1H/t6-,7-,9-;;/m1../s1