4-methylbenzenesulfonate; trimethyl(octadecyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(octadecyl)azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl(octadecyl)ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl(octadecyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(octadecyl)azanium Traditional Name: trimethyl(stearyl)ammonium tosylate Formula: C28H53NO3S MolecularWeight: 483.79032

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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;/p-1