diethyl-hexadecyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-hexadecyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate Openeye Name: benzyl-diethyl-hexadecyl-ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-hexadecyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-diethyl-hexadecylazanium; 4-methylbenzenesulfonate Traditional Name: benzyl-cetyl-diethyl-ammonium tosylate Formula: C34H57NO3S MolecularWeight: 559.88628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.C7H8O3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(5-2,6-3)26-27-23-20-19-21-24-27;1-6-2-4-7(5-3-6)11(8,9)10/h19-21,23-24H,4-18,22,25-26H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1