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

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: 1-methyl-4-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]pyrrole-2-carboxylate CAS Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-[[(3R)-quinuclidin-1-ium-3-yl]sulfamoyl]pyrrole-2-carboxylate Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C13H19N3O4S/c1-15-7-10(6-12(15)13(17)18)21(19,20)14-11-8-16-4-2-9(11)3-5-16/h6-7,9,11,14H,2-5,8H2,1H3,(H,17,18)/t11-/m0/s1