1-{[(6R,7R)-7-[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}imidazo[1,2-b]pyridazin-1-ium hydrochloride

CAS: 113981-44-5

Formula: C19H19ClN9O5S2

SMILES: Cl.CON=C(C(=O)N[C@H]1[C@H]2SCC(C[N+]3=C4C=CC=NN4C=C3)=C(N2C1=O)C(O)=O)C1=NSC(N)=N1

IUPAC: 1-{[(6R,7R)-7-[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}imidazo[1,2-b]pyridazin-1-ium hydrochloride

InChI: InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/p+1/b24-11+;/t12-,17-;/m1./s1

Composition: C (41.27%), H (3.46%), Cl (6.41%), N (22.80%), O (14.47%), S (11.60%)

Molar Mass: 552.99

Atom Count: 55

Heavy Atom Count: 36