3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4,5-dimethyl-benzenesulfonamide

Systemtic Name: 3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4,5-dimethyl-benzenesulfonamide Openeye Name: 3-amino-4,5-dimethyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4,5-dimethylbenzenesulfonamide IUPAC Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4,5-dimethylbenzenesulfonamide Traditional Name: 3-amino-4,5-dimethyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)N)S(=O)(=O)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC(=CC(=C1C)N)S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H23N3O2S/c1-10-7-13(8-14(16)11(10)2)21(19,20)17-15-9-18-5-3-12(15)4-6-18/h7-8,12,15,17H,3-6,9,16H2,1-2H3/p+1/t15-/m0/s1