[(2S)-4-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]azanium bromide

Systemtic Name: [(2S)-4-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]azanium bromide Openeye Name: [(1S)-1-carboxy-3-(5-methyl-3-oxo-isoxazol-4-yl)propyl]ammonium bromide CAS Name: [(2S)-1-hydroxy-4-(5-methyl-3-oxo-4-isoxazolyl)-1-oxobutan-2-yl]ammonium bromide IUPAC Name: [(2S)-1-hydroxy-4-(5-methyl-3-oxo-1,2-oxazol-4-yl)-1-oxobutan-2-yl]azanium bromide Traditional Name: [(1S)-1-carboxy-3-(3-keto-5-methyl-4-isoxazolin-4-yl)propyl]ammonium bromide Formula: C8H13BrN2O4 MolecularWeight: 281.10382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NO1)CCC(C(=O)O)[NH3+].[Br-]

Isomeric SMILES

CC1=C(C(=O)NO1)CC[C@@H](C(=O)O)[NH3+].[Br-]

InChI

InChI=1S/C8H12N2O4.BrH/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13;/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13);1H/t6-;/m0./s1