(2-carboxy-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-azanium bromide

Systemtic Name: (2-carboxy-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-azanium bromide Openeye Name: (2-carboxy-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-ammonium bromide CAS Name: (2-carboxy-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylideneammonium bromide IUPAC Name: (2-carboxy-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylideneazanium bromide Traditional Name: (2-carboxy-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-ammonium bromide Formula: C15H19BrN2O3S MolecularWeight: 387.29196

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)[NH+]=C3CCCCC3)SC1)C(=O)O.[Br-]

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)[NH+]=C3CCCCC3)SC1)C(=O)O.[Br-]

InChI

InChI=1S/C15H18N2O3S.BrH/c1-2-9-8-21-14-11(16-10-6-4-3-5-7-10)13(18)17(14)12(9)15(19)20;/h2,11,14H,1,3-8H2,(H,19,20);1H