cyanomethyl-methyl-dioctyl-azanium; 2-methylbenzenesulfonate

Systemtic Name: cyanomethyl-methyl-dioctyl-azanium; 2-methylbenzenesulfonate Openeye Name: cyanomethyl-methyl-dioctyl-ammonium; 2-methylbenzenesulfonate CAS Name: cyanomethyl-methyl-dioctylammonium; 2-methylbenzenesulfonate IUPAC Name: cyanomethyl-methyl-dioctylazanium; 2-methylbenzenesulfonate Traditional Name: cyanomethyl-methyl-dioctyl-ammonium; 2-methylbesylate Formula: C26H46N2O3S MolecularWeight: 466.72004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CC#N.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CC#N.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C19H39N2.C7H8O3S/c1-4-6-8-10-12-14-17-21(3,19-16-20)18-15-13-11-9-7-5-2;1-6-4-2-3-5-7(6)11(8,9)10/h4-15,17-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1