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

Systemtic Name: (2-carboxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-azanium bromide Openeye Name: (2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-ammonium bromide CAS Name: (2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylideneammonium bromide IUPAC Name: (2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylideneazanium bromide Traditional Name: (2-carboxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-cyclohexylidene-ammonium bromide Formula: C14H19BrN2O3S MolecularWeight: 375.28126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S.BrH/c1-8-7-20-13-10(15-9-5-3-2-4-6-9)12(17)16(13)11(8)14(18)19;/h10,13H,2-7H2,1H3,(H,18,19);1H