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

Systemtic Name: 7-methyl-7-(8-methyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-methyl-7-(8-methyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-methyl-7-(8-methyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-methyl-7-(8-methyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-methyl-7-(8-methyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N(C=CN2[NH2+]C=C1)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

Isomeric SMILES

CC1=C2N(C=CN2[NH2+]C=C1)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

InChI

InChI=1S/C15H16N4O3S/c1-9-3-5-16-18-7-6-17(11(9)18)15(2)13(22)19-10(12(20)21)4-8-23-14(15)19/h3-7,14,16H,8H2,1-2H3,(H,20,21)