hexadecyl(trimethyl)azanium; methyl(trioctyl)azanium; tetrabutylazanium; dichloride

Systemtic Name: hexadecyl(trimethyl)azanium; methyl(trioctyl)azanium; tetrabutylazanium; dichloride Openeye Name: hexadecyl(trimethyl)ammonium; methyl(trioctyl)ammonium; tetrabutylammonium; dichloride CAS Name: hexadecyl(trimethyl)ammonium; methyl(trioctyl)ammonium; tetrabutylammonium; dichloride IUPAC Name: hexadecyl(trimethyl)azanium; methyl(trioctyl)azanium; tetrabutylazanium; dichloride Traditional Name: cetyl(trimethyl)ammonium; methyl(trioctyl)ammonium; tetrabutylammonium; dichloride Formula: C60H132Cl2N3+ MolecularWeight: 966.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Cl-]

InChI

InChI=1S/C25H54N.C19H42N.C16H36N.2ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-25H2,1-4H3;5-19H2,1-4H3;5-16H2,1-4H3;2*1H/q3*+1;;/p-2