diethyl-(2-ethylhexylsulfanylmethyl)-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-(2-ethylhexylsulfanylmethyl)-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-(2-ethylhexylsulfanylmethyl)-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-[(2-ethylhexylthio)methyl]-methylammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-(2-ethylhexylsulfanylmethyl)-methylazanium; 4-methylbenzenesulfonate Traditional Name: diethyl-[(2-ethylhexylthio)methyl]-methyl-ammonium tosylate Formula: C21H39NO3S2 MolecularWeight: 417.66926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32NS.C7H8O3S/c1-6-10-11-14(7-2)12-16-13-15(5,8-3)9-4;1-6-2-4-7(5-3-6)11(8,9)10/h14H,6-13H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1