[(2S)-1-cyclohexyl-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]azanium bromide

Systemtic Name: [(2S)-1-cyclohexyl-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]azanium bromide Openeye Name: [(1S)-1-(cyclohexanecarbonyl)-3-hydroxy-3-oxo-propyl]ammonium bromide CAS Name: [(2S)-1-cyclohexyl-4-hydroxy-1,4-dioxobutan-2-yl]ammonium bromide IUPAC Name: [(2S)-1-cyclohexyl-4-hydroxy-1,4-dioxobutan-2-yl]azanium bromide Traditional Name: [(1S)-1-(cyclohexanecarbonyl)-3-hydroxy-3-keto-propyl]ammonium bromide Formula: C10H18BrNO3 MolecularWeight: 280.15882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CC(=O)O)[NH3+].[Br-]

Isomeric SMILES

C1CCC(CC1)C(=O)[C@H](CC(=O)O)[NH3+].[Br-]

InChI

InChI=1S/C10H17NO3.BrH/c11-8(6-9(12)13)10(14)7-4-2-1-3-5-7;/h7-8H,1-6,11H2,(H,12,13);1H/t8-;/m0./s1