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

Systemtic Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxidanylidene-butyl]azanium iodide Openeye Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxo-butyl]ammonium iodide CAS Name: trimethyl-[(2S)-4-octadecoxy-4-oxo-2-(1-oxooctadecoxy)butyl]ammonium iodide IUPAC Name: trimethyl-[(2S)-2-octadecanoyloxy-4-octadecoxy-4-oxobutyl]azanium iodide Traditional Name: [(2S)-4-keto-2-stearoyloxy-4-stearyloxy-butyl]-trimethyl-ammonium iodide Formula: C43H86INO4 MolecularWeight: 808.05171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO4.HI/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