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

Systemtic Name: 7-(1H-imidazol-5-yl)-8-oxidanylidene-7-[(E)-3-(trimethylazaniumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(1H-imidazol-5-yl)-8-oxo-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(1H-imidazol-5-yl)-8-oxo-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(1H-imidazol-5-yl)-8-oxo-7-[(E)-3-(trimethylazaniumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(1H-imidazol-5-yl)-8-keto-7-[(E)-3-(trimethylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC=CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])C3=CN=CN3

Isomeric SMILES

C[N+](C)(C)C/C=C/C1(C2N(C1=O)C(=CCS2)C(=O)[O-])C3=CN=CN3

InChI

InChI=1S/C16H20N4O3S/c1-20(2,3)7-4-6-16(12-9-17-10-18-12)14(23)19-11(13(21)22)5-8-24-15(16)19/h4-6,9-10,15H,7-8H2,1-3H3,(H-,17,18,21,22)/b6-4+