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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]C2(C3N(C2=O)C(=CCS3)C(=O)O)CBr)CC1.[Br-]

Isomeric SMILES

C1CCC(=[NH+]C2(C3N(C2=O)C(=CCS3)C(=O)O)CBr)CC1.[Br-]

InChI

InChI=1S/C14H17BrN2O3S.BrH/c15-8-14(16-9-4-2-1-3-5-9)12(20)17-10(11(18)19)6-7-21-13(14)17;/h6,13H,1-5,7-8H2,(H,18,19);1H