(3R)-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)quinuclidin-1-ium-3-amine CAS Name: (3R)-N-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C16H26N4O2S+2 MolecularWeight: 338.46824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC3C[NH+]4CCC3CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@H]3C[NH+]4CCC3CC4

InChI

InChI=1S/C16H24N4O2S/c21-23(22,20-7-1-2-8-20)14-3-4-16(17-11-14)18-15-12-19-9-5-13(15)6-10-19/h3-4,11,13,15H,1-2,5-10,12H2,(H,17,18)/p+2/t15-/m0/s1