6-(1-hydroxyethyl)-7-oxidanylidene-3-[(tributylazaniumyl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-[(tributylazaniumyl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-[(tributylammonio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(tributylammonio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-[(tributylazaniumyl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(tributylammonio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C21H36N2O4S MolecularWeight: 412.58654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)[O-]

InChI

InChI=1S/C21H36N2O4S/c1-5-8-11-23(12-9-6-2,13-10-7-3)14-16-18(21(26)27)22-19(25)17(15(4)24)20(22)28-16/h15,17,20,24H,5-14H2,1-4H3