7-methyl-7-(2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-methyl-7-(2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-methyl-7-(2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-methyl-7-(2-methyl-1-imidazo[1,2-a]pyridin-4-iumyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-methyl-7-(2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-methyl-7-(2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=CC=CC=C2N1C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

Isomeric SMILES

CC1=C[N+]2=CC=CC=C2N1C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

InChI

InChI=1S/C16H15N3O3S/c1-10-9-17-7-4-3-5-12(17)19(10)16(2)14(22)18-11(13(20)21)6-8-23-15(16)18/h3-7,9,15H,8H2,1-2H3