(6R,7R)-7-azanyl-3-[(E)-2-[1-(2-hydroxyethyl)imidazo[1,2-b]pyridazin-4-ium-6-yl]sulfanylethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-azanyl-3-[(E)-2-[1-(2-hydroxyethyl)imidazo[1,2-b]pyridazin-4-ium-6-yl]sulfanylethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-amino-3-[(E)-2-[1-(2-hydroxyethyl)imidazo[1,2-b]pyridazin-4-ium-6-yl]sulfanylvinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-amino-3-[(E)-2-[[1-(2-hydroxyethyl)-6-imidazo[1,2-b]pyridazin-4-iumyl]thio]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-amino-3-[(E)-2-[1-(2-hydroxyethyl)imidazo[1,2-b]pyridazin-4-ium-6-yl]sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-amino-3-[(E)-2-[[1-(2-hydroxyethyl)imidazo[1,2-b]pyridazin-4-ium-6-yl]thio]vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N5O4S2+ MolecularWeight: 420.48592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C=CSC3=N[N+]4=C(C=C3)N(C=C4)CCO

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)/C=C/SC3=N[N+]4=C(C=C3)N(C=C4)CCO

InChI

InChI=1S/C17H17N5O4S2/c18-13-15(24)22-14(17(25)26)10(9-28-16(13)22)3-8-27-11-1-2-12-20(6-7-23)4-5-21(12)19-11/h1-5,8,13,16,23H,6-7,9,18H2/p+1/b8-3+/t13-,16-/m1/s1