imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl 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 1-imidazo[1,2-b]pyridazin-4-iumylmethyl ester IUPAC Name: imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl 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 imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl ester Formula: C14H13N4O3S+ MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OCN3C=C[N+]4=C3C=CC=N4

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OCN3C=C[N+]4=C3C=CC=N4

InChI

InChI=1S/C14H13N4O3S/c19-12-8-13-18(12)10(3-7-22-13)14(20)21-9-16-5-6-17-11(16)2-1-4-15-17/h1-6,13H,7-9H2/q+1