2,6-bis(fluoranyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 2,6-bis(fluoranyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 2,6-difluoro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 2,6-difluoro-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 2,6-difluoro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 2,6-difluoro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C13H19F2N2O2S+ MolecularWeight: 305.363966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNS(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C1CC[NH+](C1)CCCNS(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H18F2N2O2S/c14-11-5-3-6-12(15)13(11)20(18,19)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-10H2/p+1