(2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-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-3-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-3-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-3-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-3-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-3-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)(CC1=C(N2C(CC2=O)SC1)C(=O)O)CC3=CC(=O)C(=CN3)O

Isomeric SMILES

C[N+](C)(CC1=C(N2C(CC2=O)SC1)C(=O)O)CC3=CC(=O)C(=CN3)O

InChI

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