cyanomethyl-dihexyl-methyl-azanium; methyl sulfate

Systemtic Name: cyanomethyl-dihexyl-methyl-azanium; methyl sulfate Openeye Name: cyanomethyl-dihexyl-methyl-ammonium; methyl sulfate CAS Name: cyanomethyl-dihexyl-methylammonium; methyl sulfate IUPAC Name: cyanomethyl-dihexyl-methylazanium; methyl sulfate Traditional Name: cyanomethyl-dihexyl-methyl-ammonium; methyl sulfate Formula: C16H34N2O4S MolecularWeight: 350.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(CCCCCC)CC#N.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+](C)(CCCCCC)CC#N.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H31N2.CH4O4S/c1-4-6-8-10-13-17(3,15-12-16)14-11-9-7-5-2;1-5-6(2,3)4/h4-11,13-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1