N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H26F3N2O5S+ MolecularWeight: 487.51245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H26F3N2O5S/c1-17(28)18-5-7-19(8-6-18)31-16-4-15-27(13-2-3-14-27)26-33(29,30)21-11-9-20(10-12-21)32-22(23,24)25/h5-12,26H,2-4,13-16H2,1H3/q+1