7-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride

Systemtic Name: 7-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Openeye Name: 7-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride CAS Name: 7-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride IUPAC Name: 7-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Traditional Name: 8-keto-7-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Formula: C13H20Cl2N2O3S MolecularWeight: 355.2805

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2C3N(C2=O)C(=CCS3)C(=O)[O-].Cl.Cl

Isomeric SMILES

C[N+]1(CCCC1)CC2C3N(C2=O)C(=CCS3)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C13H18N2O3S.2ClH/c1-15(5-2-3-6-15)8-9-11(16)14-10(13(17)18)4-7-19-12(9)14;;/h4,9,12H,2-3,5-8H2,1H3;2*1H