11-[2-[4-(dihydroxyboranyl)phenyl]-2-oxidanylidene-ethyl]sulfanylundecyl-trimethyl-azanium

Systemtic Name: 11-[2-[4-(dihydroxyboranyl)phenyl]-2-oxidanylidene-ethyl]sulfanylundecyl-trimethyl-azanium Openeye Name: 11-[2-(4-boronophenyl)-2-oxo-ethyl]sulfanylundecyl-trimethyl-ammonium CAS Name: 11-[[2-(4-boronophenyl)-2-oxoethyl]thio]undecyl-trimethylammonium IUPAC Name: 11-[2-(4-boronophenyl)-2-oxoethyl]sulfanylundecyl-trimethylazanium Traditional Name: 11-[[2-(4-boronophenyl)-2-keto-ethyl]thio]undecyl-trimethyl-ammonium Formula: C22H39BNO3S+ MolecularWeight: 408.42596

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)CSCCCCCCCCCCC[N+](C)(C)C)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)CSCCCCCCCCCCC[N+](C)(C)C)(O)O

InChI

InChI=1S/C22H39BNO3S/c1-24(2,3)17-11-9-7-5-4-6-8-10-12-18-28-19-22(25)20-13-15-21(16-14-20)23(26)27/h13-16,26-27H,4-12,17-19H2,1-3H3/q+1