1-({7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-1-methylpyrrolidin-1-ium hydrate hydrochloride chloride

CAS: 123171-59-5

Formula: C19H28Cl2N6O6S2

SMILES: O.Cl.[Cl-].CON=C(C(=O)NC1C2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

IUPAC: 1-({7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-1-methylpyrrolidin-1-ium hydrate hydrochloride chloride

InChI: InChI=1/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2

Composition: C (39.93%), H (4.94%), Cl (12.41%), N (14.71%), O (16.80%), S (11.22%)

Molar Mass: 571.49

Atom Count: 63

Heavy Atom Count: 35