4-hexadecyl-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 4-hexadecyl-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonic acid Openeye Name: 4-hexadecyl-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonic acid CAS Name: 4-hexadecyl-4-methylmorpholin-4-ium; 4-methylbenzenesulfonic acid IUPAC Name: 4-hexadecyl-4-methylmorpholin-4-ium; 4-methylbenzenesulfonic acid Traditional Name: 4-cetyl-4-methyl-morpholin-4-ium; tosylic acid Formula: C28H52NO4S+ MolecularWeight: 498.78178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H44NO.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22;1-6-2-4-7(5-3-6)11(8,9)10/h3-21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;