8-oxidanylidene-7-[(E)-3-(trimethylazaniumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-[(E)-3-(trimethylazaniumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(E)-3-(trimethylazaniumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC=CC1C2N(C1=O)C(=CCS2)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C/C=C/C1C2N(C1=O)C(=CCS2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-15(2,3)7-4-5-9-11(16)14-10(13(17)18)6-8-19-12(9)14/h4-6,9,12H,7-8H2,1-3H3/b5-4+