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

Systemtic Name: 2-[2-carboxy-6-(2-hydroxyethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]ethyl-trimethyl-azanium Openeye Name: 2-[2-carboxy-6-(2-hydroxyethyl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]ethyl-trimethyl-ammonium CAS Name: 2-[2-carboxy-6-(2-hydroxyethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]ethyl-trimethylammonium IUPAC Name: 2-[2-carboxy-6-(2-hydroxyethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]ethyl-trimethylazanium Traditional Name: 2-[2-carboxy-6-(2-hydroxyethyl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]ethyl-trimethyl-ammonium Formula: C13H21N2O3S2+ MolecularWeight: 317.44744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=C(N2C(S1)C(C2=S)CCO)C(=O)O

Isomeric SMILES

C[N+](C)(C)CCC1=C(N2C(S1)C(C2=S)CCO)C(=O)O

InChI

InChI=1S/C13H20N2O3S2/c1-15(2,3)6-4-9-10(13(17)18)14-11(19)8(5-7-16)12(14)20-9/h8,12,16H,4-7H2,1-3H3/p+1