4-methylbenzenesulfonic acid; 2-(4-methylmorpholin-4-ium-4-yl)ethyl octadecanoate

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(4-methylmorpholin-4-ium-4-yl)ethyl octadecanoate Openeye Name: 4-methylbenzenesulfonic acid; 2-(4-methylmorpholin-4-ium-4-yl)ethyl octadecanoate CAS Name: 4-methylbenzenesulfonic acid; octadecanoic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester IUPAC Name: 4-methylbenzenesulfonic acid; 2-(4-methylmorpholin-4-ium-4-yl)ethyl octadecanoate Traditional Name: stearic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester; tosylic acid Formula: C32H58NO6S+ MolecularWeight: 584.87102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)29-24-21-26(2)19-22-28-23-20-26;1-6-2-4-7(5-3-6)11(8,9)10/h3-24H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;