N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-fluoro-benzenesulfonamide CAS Name: N-[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-fluorobenzenesulfonamide Traditional Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-fluoro-benzenesulfonamide Formula: C16H26FN2O2S+ MolecularWeight: 329.453243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNS(=O)(=O)C2=CC=CC(=C2)F)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCNS(=O)(=O)C2=CC=CC(=C2)F)C

InChI

InChI=1S/C16H25FN2O2S/c1-13-9-14(2)12-19(11-13)8-4-7-18-22(20,21)16-6-3-5-15(17)10-16/h3,5-6,10,13-14,18H,4,7-9,11-12H2,1-2H3/p+1/t13-,14-/m0/s1