ethenyl 4-methylbenzenesulfonate; hexadecyl(trimethyl)azanium

Systemtic Name: ethenyl 4-methylbenzenesulfonate; hexadecyl(trimethyl)azanium Openeye Name: hexadecyl(trimethyl)ammonium; vinyl 4-methylbenzenesulfonate CAS Name: hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonic acid ethenyl ester IUPAC Name: ethenyl 4-methylbenzenesulfonate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 4-methylbenzenesulfonic acid vinyl ester Formula: C28H52NO3S+ MolecularWeight: 482.78238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C9H10O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3-12-13(10,11)9-6-4-8(2)5-7-9/h5-19H2,1-4H3;3-7H,1H2,2H3/q+1;