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

Systemtic Name: 4-formamido-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-formamido-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-formamido-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-formamido-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-formamido-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H14N3O4S+ MolecularWeight: 320.34366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC=O)C[N+]3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC=O)C[N+]3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H13N3O4S/c18-8-15-13-9(7-16-4-2-1-3-5-16)12(14(20)21)17-10(19)6-11(17)22-13/h1-5,8,11,13H,6-7H2,(H-,15,18,20,21)/p+1