[methylamino(pyridin-1-ium-1-ylsulfanyl)methyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide

Systemtic Name: [methylamino(pyridin-1-ium-1-ylsulfanyl)methyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Openeye Name: [methylamino(pyridin-1-ium-1-ylsulfanyl)methyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [methylamino-(1-pyridin-1-iumylthio)methyl] ester iodide IUPAC Name: [methylamino(pyridin-1-ium-1-ylsulfanyl)methyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [methylamino-(pyridin-1-ium-1-ylthio)methyl] ester iodide Formula: C14H16IN3O3S2 MolecularWeight: 465.32961

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Descriptors Computed from Structure

Canonical SMILES:

CNC(OC(=O)C1=CCSC2N1C(=O)C2)S[N+]3=CC=CC=C3.[I-]

Isomeric SMILES

CNC(OC(=O)C1=CCSC2N1C(=O)C2)S[N+]3=CC=CC=C3.[I-]

InChI

InChI=1S/C14H16N3O3S2.HI/c1-15-14(22-16-6-3-2-4-7-16)20-13(19)10-5-8-21-12-9-11(18)17(10)12;/h2-7,12,14-15H,8-9H2,1H3;1H/q+1;/p-1