7-formamido-8-oxidanylidene-3-(pyrazin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-formamido-8-oxidanylidene-3-(pyrazin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-formamido-8-oxo-3-(pyrazin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-formamido-8-oxo-3-(1-pyrazin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-formamido-8-oxo-3-(pyrazin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-formamido-8-keto-3-(pyrazin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13N4O4S+ MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)O)C[N+]3=CC=NC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)O)C[N+]3=CC=NC=C3

InChI

InChI=1S/C13H12N4O4S/c18-7-15-9-11(19)17-10(13(20)21)8(6-22-12(9)17)5-16-3-1-14-2-4-16/h1-4,7,9,12H,5-6H2,(H-,15,18,20,21)/p+1