2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl-trimethylammonium IUPAC Name: 2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethyl-trimethylazanium Traditional Name: 2-[[2-carboxy-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl-trimethyl-ammonium Formula: C13H21N2O4S2+ MolecularWeight: 333.44684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC[N+](C)(C)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC[N+](C)(C)C)C(=O)O)O

InChI

InChI=1S/C13H20N2O4S2/c1-7(16)8-10(17)14-9(12(18)19)13(21-11(8)14)20-6-5-15(2,3)4/h7-8,11,16H,5-6H2,1-4H3/p+1