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

Systemtic Name: 3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chloranyl-benzenesulfonamide Openeye Name: 3-amino-4-chloro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chlorobenzenesulfonamide IUPAC Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chlorobenzenesulfonamide Traditional Name: 3-amino-4-chloro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C13H19ClN3O2S+ MolecularWeight: 316.82686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2S/c14-11-2-1-10(7-12(11)15)20(18,19)16-13-8-17-5-3-9(13)4-6-17/h1-2,7,9,13,16H,3-6,8,15H2/p+1/t13-/m0/s1