(3R)-N-(4-methylsulfonylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-(4-methylsulfonylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-(4-methylsulfonylphenyl)quinuclidin-1-ium-3-amine CAS Name: (3R)-N-(4-methylsulfonylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-(4-methylsulfonylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (4-mesylphenyl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C14H21N2O2S+ MolecularWeight: 281.39374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C14H20N2O2S/c1-19(17,18)13-4-2-12(3-5-13)15-14-10-16-8-6-11(14)7-9-16/h2-5,11,14-15H,6-10H2,1H3/p+1/t14-/m0/s1