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

Systemtic Name: 7-methyl-7-(1-methylpyrrolidin-1-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate dihydrochloride Openeye Name: 7-methyl-7-(1-methylpyrrolidin-1-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate dihydrochloride CAS Name: 7-methyl-7-(1-methyl-1-pyrrolidin-1-iumyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate dihydrochloride IUPAC Name: 7-methyl-7-(1-methylpyrrolidin-1-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate dihydrochloride Traditional Name: 8-keto-7-methyl-7-(1-methylpyrrolidin-1-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate dihydrochloride Formula: C13H24Cl2N2O5S MolecularWeight: 391.31106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])[N+]3(CCCC3)C.O.O.Cl.Cl

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])[N+]3(CCCC3)C.O.O.Cl.Cl

InChI

InChI=1S/C13H18N2O3S.2ClH.2H2O/c1-13(15(2)6-3-4-7-15)11(18)14-9(10(16)17)5-8-19-12(13)14;;;;/h5,12H,3-4,6-8H2,1-2H3;2*1H;2*1H2