5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 2-methyl-5-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzenesulfonamide CAS Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 2-methyl-5-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzenesulfonamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-10-2-3-12(8-14(10)20(15,18)19)16-13-9-17-6-4-11(13)5-7-17/h2-3,8,11,13,16H,4-7,9H2,1H3,(H2,15,18,19)/p+1/t13-/m0/s1