7-azanyl-3-[(3-methylpyrazin-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-methylpyrazin-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-methylpyrazin-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-methyl-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-methylpyrazin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(3-methylpyrazin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H15N4O3S+ MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C[N+](=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CC1=NC=C[N+](=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C13H14N4O3S/c1-7-4-16(3-2-15-7)5-8-6-21-12-9(14)11(18)17(12)10(8)13(19)20/h2-4,9,12H,5-6,14H2,1H3/p+1