[(E)-3-[2-carboxy-7-(furan-3-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-(furan-3-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-(3-furyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]allyl]-trimethyl-ammonium CAS Name: [(E)-3-[2-carboxy-7-(3-furanyl)-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-(furan-3-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-(3-furyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]allyl]-trimethyl-ammonium Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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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=COC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-19(2,3)8-4-7-17(12-5-9-23-11-12)15(22)18-13(14(20)21)6-10-24-16(17)18/h4-7,9,11,16H,8,10H2,1-3H3/p+1/b7-4+