3-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzoate

Systemtic Name: 3-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzoate Openeye Name: 3-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]benzoate CAS Name: 3-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzoate IUPAC Name: 3-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzoate Traditional Name: 3-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]benzoate Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c17-14(18)11-2-1-3-12(8-11)21(19,20)15-13-9-16-6-4-10(13)5-7-16/h1-3,8,10,13,15H,4-7,9H2,(H,17,18)/t13-/m0/s1