(2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)methyl]azanium

Systemtic Name: (2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)methyl]azanium Openeye Name: (2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methyl]-dimethyl-ammonium CAS Name: (2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methyl]-dimethylammonium IUPAC Name: (2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methyl]-dimethylazanium Traditional Name: (2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl-[(5-hydroxy-4-keto-1H-pyridin-2-yl)methyl]-dimethyl-ammonium Formula: C16H20N3O5S+ MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1C2N(C1=O)C(=CCS2)C(=O)O)CC3=CC(=O)C(=CN3)O

Isomeric SMILES

C[N+](C)(CC1C2N(C1=O)C(=CCS2)C(=O)O)CC3=CC(=O)C(=CN3)O

InChI

InChI=1S/C16H19N3O5S/c1-19(2,7-9-5-12(20)13(21)6-17-9)8-10-14(22)18-11(16(23)24)3-4-25-15(10)18/h3,5-6,10,15H,4,7-8H2,1-2H3,(H2-,17,20,21,23,24)/p+1