(6R,7R)-7-azanyl-3-[(3-methyl-1,2,3-triazol-3-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-azanyl-3-[(3-methyl-1,2,3-triazol-3-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-amino-3-[(3-methyltriazol-3-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-amino-3-[(3-methyl-1-triazol-3-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-amino-3-[(3-methyltriazol-3-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-amino-8-keto-3-[(3-methyltriazol-3-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-]

Isomeric SMILES

C[N+]1=NN(C=C1)CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-]

InChI

InChI=1S/C11H13N5O3S/c1-14-2-3-15(13-14)4-6-5-20-10-7(12)9(17)16(10)8(6)11(18)19/h2-3,7,10H,4-5,12H2,1H3/t7-,10-/m1/s1