N,N-dioctyloctan-1-amine; tridodecyl(methyl)azanium; chloride

Systemtic Name: N,N-dioctyloctan-1-amine; tridodecyl(methyl)azanium; chloride Openeye Name: N,N-dioctyloctan-1-amine; tridodecyl(methyl)ammonium; chloride CAS Name: N,N-dioctyl-1-octanamine; tridodecyl(methyl)ammonium; chloride IUPAC Name: N,N-dioctyloctan-1-amine; tridodecyl(methyl)azanium; chloride Traditional Name: trilauryl(methyl)ammonium; trioctylamine; chloride Formula: C61H129ClN2 MolecularWeight: 926.14336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCN(CCCCCCCC)CCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCN(CCCCCCCC)CCCCCCCC.[Cl-]

InChI

InChI=1S/C37H78N.C24H51N.ClH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h5-37H2,1-4H3;4-24H2,1-3H3;1H/q+1;;/p-1