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1-[(7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate

1-[(7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate

Systemtic Name:1-[(7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate
Openeye Name:1-[(7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate
CAS Name:1-[(7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-4-pyridin-1-iumcarboxylate
IUPAC Name:1-[(7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate
Traditional Name:1-[(7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate
Formula: C14H13N3O4S
MolecularWeight: 319.33572
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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN2C(S1)C(C2=O)NC=O)C[N+]3=CC=C(C=C3)C(=O)[O-]


Isomeric SMILES

C1C(=CN2C(S1)C(C2=O)NC=O)C[N+]3=CC=C(C=C3)C(=O)[O-]


InChI

InChI=1S/C14H13N3O4S/c18-8-15-11-12(19)17-6-9(7-22-13(11)17)5-16-3-1-10(2-4-16)14(20)21/h1-4,6,8,11,13H,5,7H2,(H-,15,18,20,21)


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