N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 4-acetyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]benzenesulfonamide Traditional Name: 4-acetyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H20N2O3S/c1-11(18)12-2-4-14(5-3-12)21(19,20)16-15-10-17-8-6-13(15)7-9-17/h2-5,13,15-16H,6-10H2,1H3/p+1/t15-/m0/s1