4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate Openeye Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylate Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c16-12(17)10-5-9(6-13-10)20(18,19)14-11-7-15-3-1-8(11)2-4-15/h5-6,8,11,13-14H,1-4,7H2,(H,16,17)/t11-/m0/s1