1-decylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-decylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-decylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-decylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-decylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-decylpyridin-1-ium tosylate Formula: C22H33NO3S MolecularWeight: 391.56732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H26N.C7H8O3S/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;1-6-2-4-7(5-3-6)11(8,9)10/h9,11-12,14-15H,2-8,10,13H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1