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

Systemtic Name: 1-(4-aminophenyl)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]methanesulfonamide Openeye Name: 1-(4-aminophenyl)-N-[(3R)-quinuclidin-1-ium-3-yl]methanesulfonamide CAS Name: 1-(4-aminophenyl)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]methanesulfonamide IUPAC Name: 1-(4-aminophenyl)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]methanesulfonamide Traditional Name: 1-(4-aminophenyl)-N-[(3R)-quinuclidin-1-ium-3-yl]methanesulfonamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c15-13-3-1-11(2-4-13)10-20(18,19)16-14-9-17-7-5-12(14)6-8-17/h1-4,12,14,16H,5-10,15H2/p+1/t14-/m0/s1