7-azanyl-3-[(3,5-dimethylpyrazin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(3,5-dimethylpyrazin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(3,5-dimethylpyrazin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(3,5-dimethyl-1-pyrazin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(3,5-dimethylpyrazin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(3,5-dimethylpyrazin-1-ium-1-yl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H17N4O3S+ MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=N1)C)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CC1=C[N+](=CC(=N1)C)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C14H16N4O3S/c1-7-3-17(4-8(2)16-7)5-9-6-22-13-10(15)12(19)18(13)11(9)14(20)21/h3-4,10,13H,5-6,15H2,1-2H3/p+1