2,3-di(octadecanoyloxy)butyl-trimethyl-azanium chloride

Systemtic Name: 2,3-di(octadecanoyloxy)butyl-trimethyl-azanium chloride Openeye Name: 2,3-di(octadecanoyloxy)butyl-trimethyl-ammonium chloride CAS Name: 2,3-bis(1-oxooctadecoxy)butyl-trimethylammonium chloride IUPAC Name: 2,3-di(octadecanoyloxy)butyl-trimethylazanium chloride Traditional Name: 2,3-distearoyloxybutyl(trimethyl)ammonium chloride Formula: C43H86ClNO4 MolecularWeight: 716.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C43H86NO4.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40(3)41(39-44(4,5)6)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h40-41H,7-39H2,1-6H3;1H/q+1;/p-1