hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonic acid

Systemtic Name: hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonic acid Openeye Name: hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonic acid CAS Name: hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonic acid IUPAC Name: hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonic acid Traditional Name: cetyl(trimethyl)ammonium; tosylic acid Formula: C26H50NO3S+ MolecularWeight: 456.7451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;