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

Systemtic Name: 3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-oxidanyl-benzenesulfonamide Openeye Name: 3-amino-4-hydroxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-hydroxybenzenesulfonamide IUPAC Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-hydroxybenzenesulfonamide Traditional Name: 3-amino-4-hydroxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c14-11-7-10(1-2-13(11)17)20(18,19)15-12-8-16-5-3-9(12)4-6-16/h1-2,7,9,12,15,17H,3-6,8,14H2/p+1/t12-/m0/s1