7-(methylamino)-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(methylamino)-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(methylamino)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(methylamino)-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(methylamino)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(methylamino)-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CNC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O

Isomeric SMILES

CNC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-15-10-12(18)17-11(14(19)20)9(8-21-13(10)17)7-16-5-3-2-4-6-16/h2-6,10,13,15H,7-8H2,1H3/p+1