7-azanyl-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide

Systemtic Name: 7-azanyl-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Openeye Name: 7-amino-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide CAS Name: 7-amino-3-[(E)-3-(4-methyl-4-morpholin-4-iumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide IUPAC Name: 7-amino-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Traditional Name: 7-amino-8-keto-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Formula: C15H22IN3O4S MolecularWeight: 467.32235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC=CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].I

Isomeric SMILES

C[N+]1(CCOCC1)C/C=C/C2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].I

InChI

InChI=1S/C15H21N3O4S.HI/c1-18(5-7-22-8-6-18)4-2-3-10-9-23-14-11(16)13(19)17(14)12(10)15(20)21;/h2-3,11,14H,4-9,16H2,1H3;1H/b3-2+;