methyl-tri(octadecan-9-yl)azanium chloride

Systemtic Name: methyl-tri(octadecan-9-yl)azanium chloride Openeye Name: methyl-tris(1-octyldecyl)ammonium chloride CAS Name: methyl-tri(octadecan-9-yl)ammonium chloride IUPAC Name: methyl-tri(octadecan-9-yl)azanium chloride Traditional Name: methyl-tris(1-octyldecyl)ammonium chloride Formula: C55H114ClN MolecularWeight: 824.95336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)[N+](C)(C(CCCCCCCC)CCCCCCCCC)C(CCCCCCCC)CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)[N+](C)(C(CCCCCCCC)CCCCCCCCC)C(CCCCCCCC)CCCCCCCCC.[Cl-]

InChI

InChI=1S/C55H114N.ClH/c1-8-14-20-26-32-38-44-50-53(47-41-35-29-23-17-11-4)56(7,54(48-42-36-30-24-18-12-5)51-45-39-33-27-21-15-9-2)55(49-43-37-31-25-19-13-6)52-46-40-34-28-22-16-10-3;/h53-55H,8-52H2,1-7H3;1H/q+1;/p-1