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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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