4-methylbenzenesulfonic acid; trimethyl(octadecyl)azanium

Systemtic Name: 4-methylbenzenesulfonic acid; trimethyl(octadecyl)azanium Openeye Name: 4-methylbenzenesulfonic acid; trimethyl(octadecyl)ammonium CAS Name: 4-methylbenzenesulfonic acid; trimethyl(octadecyl)ammonium IUPAC Name: 4-methylbenzenesulfonic acid; trimethyl(octadecyl)azanium Traditional Name: tosylic acid; trimethyl(stearyl)ammonium Formula: C28H54NO3S+ MolecularWeight: 484.79826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-21H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;