[(3R)-1,1-bis(phenylmethyl)pyrrolidin-1-ium-3-yl] methanesulfonate; methanesulfonate

Systemtic Name: [(3R)-1,1-bis(phenylmethyl)pyrrolidin-1-ium-3-yl] methanesulfonate; methanesulfonate Openeye Name: [(3R)-1,1-dibenzylpyrrolidin-1-ium-3-yl] methanesulfonate; methanesulfonate CAS Name: methanesulfonate; methanesulfonic acid [(3R)-1,1-bis(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1,1-dibenzylpyrrolidin-1-ium-3-yl] methanesulfonate; methanesulfonate Traditional Name: methanesulfonic acid [(3R)-1,1-dibenzylpyrrolidin-1-ium-3-yl] ester mesylate Formula: C20H27NO6S2 MolecularWeight: 441.56148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)OC1CC[N+](C1)(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)O[C@@H]1CC[N+](C1)(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24NO3S.CH4O3S/c1-24(21,22)23-19-12-13-20(16-19,14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-5(2,3)4/h2-11,19H,12-16H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t19-;/m1./s1