[(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethyl-azanium

Systemtic Name: [(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethyl-azanium Openeye Name: [(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]allyl]-trimethyl-ammonium CAS Name: [(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethylammonium IUPAC Name: [(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethylazanium Traditional Name: [(E)-3-[2-carboxy-7-(1H-imidazol-5-yl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]allyl]-trimethyl-ammonium Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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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)/p+1/b6-4+