trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxidanylidene-butyl]azanium chloride Openeye Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxo-butyl]ammonium chloride CAS Name: trimethyl-[(2S)-4-octadecoxy-4-oxo-2-(1-oxooctadecoxy)butyl]ammonium chloride IUPAC Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxobutyl]azanium chloride Traditional Name: [(2S)-4-keto-2-stearoyloxy-4-stearyloxy-butyl]-trimethyl-ammonium chloride Formula: C43H86ClNO4 MolecularWeight: 716.60024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C43H86NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-47-43(46)39-41(40-44(3,4)5)48-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h41H,6-40H2,1-5H3;1H/q+1;/p-1/t41-;/m0./s1