[(E)-3-pyridin-1-ium-1-ylprop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(E)-3-pyridin-1-ium-1-ylprop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-3-pyridin-1-ium-1-ylprop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-(1-pyridin-1-iumyl)prop-1-enyl] ester IUPAC Name: [(E)-3-pyridin-1-ium-1-ylprop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-pyridin-1-ium-1-ylprop-1-enyl] ester Formula: C15H15N2O3S+ MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OC=CC[N+]3=CC=CC=C3

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)O/C=C/C[N+]3=CC=CC=C3

InChI

InChI=1S/C15H15N2O3S/c18-13-11-14-17(13)12(5-10-21-14)15(19)20-9-4-8-16-6-2-1-3-7-16/h1-7,9,14H,8,10-11H2/q+1/b9-4+