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

Systemtic Name: N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3-fluoro-benzenesulfonamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3-fluorobenzenesulfonamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3-fluoro-benzenesulfonamide Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

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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=CC(=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN2O4S/c1-17(25)18-8-10-20(11-9-18)28-15-5-14-24(12-2-3-13-24)23-29(26,27)21-7-4-6-19(22)16-21/h4,6-11,16,23H,2-3,5,12-15H2,1H3/q+1