dihexyl-(1-iodanylprop-2-ynyl)-methyl-azanium chloride

Systemtic Name: dihexyl-(1-iodanylprop-2-ynyl)-methyl-azanium chloride Openeye Name: dihexyl-(1-iodoprop-2-ynyl)-methyl-ammonium chloride CAS Name: dihexyl-(1-iodoprop-2-ynyl)-methylammonium chloride IUPAC Name: dihexyl-(1-iodoprop-2-ynyl)-methylazanium chloride Traditional Name: dihexyl-(1-iodoprop-2-ynyl)-methyl-ammonium chloride Formula: C16H31ClIN MolecularWeight: 399.78151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(CCCCCC)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCC[N+](C)(CCCCCC)C(C#C)I.[Cl-]

InChI

InChI=1S/C16H31IN.ClH/c1-5-8-10-12-14-18(4,16(17)7-3)15-13-11-9-6-2;/h3,16H,5-6,8-15H2,1-2,4H3;1H/q+1;/p-1