7-azanyl-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-azanyl-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(5H-imidazo[1,2-b]pyridazin-5-ium-1-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])CN3C=CN4C3=CC=C[NH2+]4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])CN3C=CN4C3=CC=C[NH2+]4

InChI

InChI=1S/C14H15N5O3S/c15-10-12(20)19-11(14(21)22)8(7-23-13(10)19)6-17-4-5-18-9(17)2-1-3-16-18/h1-5,10,13,16H,6-7,15H2,(H,21,22)