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

Systemtic Name: 4-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-amino-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-amino-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N3O3S+ MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c14-12-8(7-15-4-2-1-3-5-15)11(13(18)19)16-9(17)6-10(16)20-12/h1-5,10,12H,6-7,14H2/p+1