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

Systemtic Name: tributyl-[[2-carboxy-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]azanium Openeye Name: tributyl-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]ammonium CAS Name: tributyl-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]ammonium IUPAC Name: tributyl-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]azanium Traditional Name: tributyl-[[2-carboxy-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]ammonium Formula: C21H37N2O4S+ MolecularWeight: 413.59448

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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/p+1