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

Systemtic Name: 5-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chloranyl-benzenesulfonamide Openeye Name: 5-amino-2-chloro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 5-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chlorobenzenesulfonamide IUPAC Name: 5-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chlorobenzenesulfonamide Traditional Name: 5-amino-2-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=C(C=CC(=C3)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2S/c14-11-2-1-10(15)7-13(11)20(18,19)16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,12,16H,3-6,8,15H2/p+1/t12-/m0/s1