N-(3-azanylpyridin-1-ium-4-yl)methanamide; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: N-(3-azanylpyridin-1-ium-4-yl)methanamide; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: N-(3-aminopyridin-1-ium-4-yl)formamide; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: N-(3-amino-4-pyridin-1-iumyl)formamide; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: N-(3-aminopyridin-1-ium-4-yl)formamide; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: N-(3-aminopyridin-1-ium-4-yl)formamide; 8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1=C[NH+]=CC(=C1NC=O)N

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1=C[NH+]=CC(=C1NC=O)N

InChI

InChI=1S/C8H9NO3S.C6H7N3O/c1-4-6(10)9-5(8(11)12)2-3-13-7(4)9;7-5-3-8-2-1-6(5)9-4-10/h2,4,7H,3H2,1H3,(H,11,12);1-4H,7H2,(H,8,9,10)