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

Systemtic Name: [3-(bromomethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-azanium bromide Openeye Name: [3-(bromomethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide CAS Name: [3-(bromomethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneammonium bromide IUPAC Name: [3-(bromomethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneazanium bromide Traditional Name: [3-(bromomethyl)-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide Formula: C14H18Br2N2O3S MolecularWeight: 454.17732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O3S.BrH/c15-6-8-7-21-13-10(16-9-4-2-1-3-5-9)12(18)17(13)11(8)14(19)20;/h10,13H,1-7H2,(H,19,20);1H