7-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide

Systemtic Name: 7-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Openeye Name: 7-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide CAS Name: 7-[(E)-2-(2,2-dimethyl-5-isoxazolidin-2-iumyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide IUPAC Name: 7-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Traditional Name: 7-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Formula: C14H18IN2O4S- MolecularWeight: 437.27319

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(O1)C=CC2C3N(C2=O)C(=CCS3)C(=O)[O-])C.[I-]

Isomeric SMILES

C[N+]1(CCC(O1)/C=C/C2C3N(C2=O)C(=CCS3)C(=O)[O-])C.[I-]

InChI

InChI=1S/C14H18N2O4S.HI/c1-16(2)7-5-9(20-16)3-4-10-12(17)15-11(14(18)19)6-8-21-13(10)15;/h3-4,6,9-10,13H,5,7-8H2,1-2H3;1H/p-1/b4-3+;