4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonic acid

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonic acid Openeye Name: 4-(quinuclidin-3-ylamino)benzenesulfonic acid CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonic acid IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonic acid Traditional Name: 4-(quinuclidin-3-ylamino)besylic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H18N2O3S/c16-19(17,18)12-3-1-11(2-4-12)14-13-9-15-7-5-10(13)6-8-15/h1-4,10,13-14H,5-9H2,(H,16,17,18)