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

Systemtic Name: 7-azanyl-3-[[(1-methyl-2H-pyridin-1-ium-1-yl)amino]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[(1-methyl-2H-pyridin-1-ium-1-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(1-methyl-2H-pyridin-1-ium-1-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[(1-methyl-2H-pyridin-1-ium-1-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(1-methyl-2H-pyridin-1-ium-1-yl)amino]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H19N4O3S+ MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC=CC=C1)NCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1(CC=CC=C1)NCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C14H18N4O3S/c1-18(5-3-2-4-6-18)16-7-9-8-22-13-10(15)12(19)17(13)11(9)14(20)21/h2-5,10,13,16H,6-8,15H2,1H3/p+1