dodecyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: dodecyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: dodecyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: dodecyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: lauryl(trimethyl)ammonium tosylate Formula: C22H41NO3S MolecularWeight: 399.63084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1