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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2C[NH+]3CCC2CC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)N

InChI

InChI=1S/C14H21N3O2S/c1-10-2-3-12(8-13(10)15)20(18,19)16-14-9-17-6-4-11(14)5-7-17/h2-3,8,11,14,16H,4-7,9,15H2,1H3/p+1/t14-/m0/s1