7-azanyl-3-[(E)-3-[4-(carboxymethylsulfanyl)pyridin-1-ium-1-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-(carboxymethylsulfanyl)pyridin-1-ium-1-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-(carboxymethylsulfanyl)pyridin-1-ium-1-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-(carboxymethylthio)-1-pyridin-1-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-(carboxymethylsulfanyl)pyridin-1-ium-1-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Traditional Name: 7-amino-3-[(E)-3-[4-(carboxymethylthio)pyridin-1-ium-1-yl]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Formula: C17H18IN3O5S2 MolecularWeight: 535.37639

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])C=CC[N+]3=CC=C(C=C3)SCC(=O)O.I

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])/C=C/C[N+]3=CC=C(C=C3)SCC(=O)O.I

InChI

InChI=1S/C17H17N3O5S2.HI/c18-13-15(23)20-14(17(24)25)10(8-27-16(13)20)2-1-5-19-6-3-11(4-7-19)26-9-12(21)22;/h1-4,6-7,13,16H,5,8-9,18H2,(H-,21,22,24,25);1H/b2-1+;