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

Systemtic Name: [3-[bromanyl(chloranyl)methyl]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-azanium bromide Openeye Name: [3-[bromo(chloro)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide CAS Name: [3-[bromo(chloro)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneammonium bromide IUPAC Name: [3-[bromo(chloro)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneazanium bromide Traditional Name: [3-[bromo(chloro)methyl]-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide Formula: C14H17Br2ClN2O3S MolecularWeight: 488.62238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]C2C3N(C2=O)C(=C(CS3)C(Cl)Br)C(=O)O)CC1.[Br-]

Isomeric SMILES

C1CCC(=[NH+]C2C3N(C2=O)C(=C(CS3)C(Cl)Br)C(=O)O)CC1.[Br-]

InChI

InChI=1S/C14H16BrClN2O3S.BrH/c15-11(16)8-6-22-13-9(17-7-4-2-1-3-5-7)12(19)18(13)10(8)14(20)21;/h9,11,13H,1-6H2,(H,20,21);1H