7-azanyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-methylmorpholin-4-ium-4-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(4-methyl-4-morpholin-4-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-methylmorpholin-4-ium-4-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(4-methylmorpholin-4-ium-4-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1(CCOCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-16(2-4-20-5-3-16)6-8-7-21-12-9(14)11(17)15(12)10(8)13(18)19/h9,12H,2-7,14H2,1H3/p+1