cyanomethyl-ethyl-dihexyl-azanium; methyl sulfate

Systemtic Name: cyanomethyl-ethyl-dihexyl-azanium; methyl sulfate Openeye Name: cyanomethyl-ethyl-dihexyl-ammonium; methyl sulfate CAS Name: cyanomethyl-ethyl-dihexylammonium; methyl sulfate IUPAC Name: cyanomethyl-ethyl-dihexylazanium; methyl sulfate Traditional Name: cyanomethyl-ethyl-dihexyl-ammonium; methyl sulfate Formula: C17H36N2O4S MolecularWeight: 364.54374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33N2.CH4O4S/c1-4-7-9-11-14-18(6-3,16-13-17)15-12-10-8-5-2;1-5-6(2,3)4/h4-12,14-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1