7-azanyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(1-methyl-4-pyridin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(1-methylpyridin-1-ium-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16N3O3S2+ MolecularWeight: 338.42514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C14H15N3O3S2/c1-16-4-2-9(3-5-16)21-6-8-7-22-13-10(15)12(18)17(13)11(8)14(19)20/h2-5,10,13H,6-7,15H2,1H3/p+1