tetradodecylazanium trichloride

Systemtic Name: tetradodecylazanium trichloride Openeye Name: tetradodecylammonium trichloride CAS Name: tetradodecylammonium trichloride IUPAC Name: tetradodecylazanium trichloride Traditional Name: tetralaurylammonium trichloride Formula: C144H300Cl3N3 MolecularWeight: 2180.3019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/3C48H100N.3ClH/c3*1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;;;/h3*5-48H2,1-4H3;3*1H/q3*+1;;;/p-3