N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-(4-cyanophenyl)methanesulfonamide

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-(4-cyanophenyl)methanesulfonamide Openeye Name: 1-(4-cyanophenyl)-N-[(3R)-quinuclidin-1-ium-3-yl]methanesulfonamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-(4-cyanophenyl)methanesulfonamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-(4-cyanophenyl)methanesulfonamide Traditional Name: 1-(4-cyanophenyl)-N-[(3R)-quinuclidin-1-ium-3-yl]methanesulfonamide Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NS(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NS(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H19N3O2S/c16-9-12-1-3-13(4-2-12)11-21(19,20)17-15-10-18-7-5-14(15)6-8-18/h1-4,14-15,17H,5-8,10-11H2/p+1/t15-/m0/s1