2-chloranyl-1-methyl-5-(trifluoromethyl)pyridin-1-ium; methanesulfonate

Systemtic Name: 2-chloranyl-1-methyl-5-(trifluoromethyl)pyridin-1-ium; methanesulfonate Openeye Name: 2-chloro-1-methyl-5-(trifluoromethyl)pyridin-1-ium; methanesulfonate CAS Name: 2-chloro-1-methyl-5-(trifluoromethyl)pyridin-1-ium; methanesulfonate IUPAC Name: 2-chloro-1-methyl-5-(trifluoromethyl)pyridin-1-ium; methanesulfonate Traditional Name: 2-chloro-1-methyl-5-(trifluoromethyl)pyridin-1-ium mesylate Formula: C8H9ClF3NO3S MolecularWeight: 291.67517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(F)(F)F)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(F)(F)F)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C7H6ClF3N.CH4O3S/c1-12-4-5(7(9,10)11)2-3-6(12)8;1-5(2,3)4/h2-4H,1H3;1H3,(H,2,3,4)/q+1;/p-1