4-fluoranyl-1-(2-methylphenyl)pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-fluoranyl-1-(2-methylphenyl)pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-fluoro-1-(o-tolyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-fluoro-1-(2-methylphenyl)pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-fluoro-1-(2-methylphenyl)pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-fluoro-1-(o-tolyl)pyridin-1-ium tosylate Formula: C19H18FNO3S MolecularWeight: 359.414523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1[N+]2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1[N+]2=CC=C(C=C2)F

InChI

InChI=1S/C12H11FN.C7H8O3S/c1-10-4-2-3-5-12(10)14-8-6-11(13)7-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1