ethyl(trihexyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl(trihexyl)azanium; 4-methylbenzenesulfonate Openeye Name: ethyl(trihexyl)ammonium; 4-methylbenzenesulfonate CAS Name: ethyl(trihexyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl(trihexyl)azanium; 4-methylbenzenesulfonate Traditional Name: ethyl(trihexyl)ammonium tosylate Formula: C27H51NO3S MolecularWeight: 469.76374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44N.C7H8O3S/c1-5-9-12-15-18-21(8-4,19-16-13-10-6-2)20-17-14-11-7-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-20H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1