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

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C13H17ClN3O4S+ MolecularWeight: 346.80978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4S/c14-11-2-1-10(7-13(11)17(18)19)22(20,21)15-12-8-16-5-3-9(12)4-6-16/h1-2,7,9,12,15H,3-6,8H2/p+1/t12-/m0/s1