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

Systemtic Name: 7-azanyl-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide Openeye Name: 7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide CAS Name: 7-amino-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide IUPAC Name: 7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide Traditional Name: 7-amino-8-keto-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide Formula: C13H20IN3O3S MolecularWeight: 425.28567

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O.[I-]

InChI

InChI=1S/C13H19N3O3S.HI/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H