2-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: 2-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: 2-amino-4-fluoro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 2-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-fluorobenzenesulfonamide IUPAC Name: 2-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-fluorobenzenesulfonamide Traditional Name: 2-amino-4-fluoro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C13H19FN3O2S+ MolecularWeight: 300.372263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NS(=O)(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NS(=O)(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C13H18FN3O2S/c14-10-1-2-13(11(15)7-10)20(18,19)16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,12,16H,3-6,8,15H2/p+1/t12-/m0/s1