2-butoxyethyl-methyl-dioctadecyl-azanium chloride

Systemtic Name: 2-butoxyethyl-methyl-dioctadecyl-azanium chloride Openeye Name: 2-butoxyethyl-methyl-dioctadecyl-ammonium chloride CAS Name: 2-butoxyethyl-methyl-dioctadecylammonium chloride IUPAC Name: 2-butoxyethyl-methyl-dioctadecylazanium chloride Traditional Name: 2-butoxyethyl-methyl-distearyl-ammonium chloride Formula: C43H90ClNO MolecularWeight: 672.6338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCOCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCOCCCC.[Cl-]

InChI

InChI=1S/C43H90NO.ClH/c1-5-8-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(4,41-43-45-42-10-7-3)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-9-6-2;/h5-43H2,1-4H3;1H/q+1;/p-1