[(E)-3-[2-carboxy-8-oxidanylidene-7-(1,3-thiazol-4-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethyl-azanium

Systemtic Name: [(E)-3-[2-carboxy-8-oxidanylidene-7-(1,3-thiazol-4-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethyl-azanium Openeye Name: [(E)-3-(2-carboxy-8-oxo-7-thiazol-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)allyl]-trimethyl-ammonium CAS Name: [(E)-3-[2-carboxy-8-oxo-7-(4-thiazolyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethylammonium IUPAC Name: [(E)-3-[2-carboxy-8-oxo-7-(1,3-thiazol-4-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]prop-2-enyl]-trimethylazanium Traditional Name: [(E)-3-(2-carboxy-8-keto-7-thiazol-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)allyl]-trimethyl-ammonium Formula: C16H20N3O3S2+ MolecularWeight: 366.4783

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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=CSC=N3

Isomeric SMILES

C[N+](C)(C)C/C=C/C1(C2N(C1=O)C(=CCS2)C(=O)O)C3=CSC=N3

InChI

InChI=1S/C16H19N3O3S2/c1-19(2,3)7-4-6-16(12-9-23-10-17-12)14(22)18-11(13(20)21)5-8-24-15(16)18/h4-6,9-10,15H,7-8H2,1-3H3/p+1/b6-4+