7-azanyl-3-[(E)-3-[dimethyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)azaniumyl]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-[dimethyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)azaniumyl]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-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-dimethyl-ammonio]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-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-dimethylammonio]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-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-dimethylazaniumyl]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-[(1-benzyl-2-hydroxy-2-keto-ethyl)-dimethyl-ammonio]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide Formula: C21H26IN3O5S MolecularWeight: 559.41771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-])C(CC3=CC=CC=C3)C(=O)O.I

Isomeric SMILES

C[N+](C)(C/C=C/C1=C(N2C(C(C2=O)N)SC1)C(=O)[O-])C(CC3=CC=CC=C3)C(=O)O.I

InChI

InChI=1S/C21H25N3O5S.HI/c1-24(2,15(20(26)27)11-13-7-4-3-5-8-13)10-6-9-14-12-30-19-16(22)18(25)23(19)17(14)21(28)29;/h3-9,15-16,19H,10-12,22H2,1-2H3,(H-,26,27,28,29);1H/b9-6+;