4-methylbenzenesulfonate; trimethyl(2-oxidanyldodecyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(2-oxidanyldodecyl)azanium Openeye Name: 2-hydroxydodecyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 2-hydroxydodecyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxydodecyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 2-hydroxydodecyl(trimethyl)ammonium tosylate Formula: C22H41NO4S MolecularWeight: 415.63024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34NO.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-15(17)14-16(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h15,17H,5-14H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1