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

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

CC1CCC[NH+]1C2(C3N(C2=O)C(=CCS3)C(=O)[O-])C.Cl.Cl

Isomeric SMILES

CC1CCC[NH+]1C2(C3N(C2=O)C(=CCS3)C(=O)[O-])C.Cl.Cl

InChI

InChI=1S/C13H18N2O3S.2ClH/c1-8-4-3-6-14(8)13(2)11(18)15-9(10(16)17)5-7-19-12(13)15;;/h5,8,12H,3-4,6-7H2,1-2H3,(H,16,17);2*1H