trimethyl-[4-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-9-enoyl]oxy-4-oxidanylidene-butyl]azanium iodide

Systemtic Name: trimethyl-[4-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-9-enoyl]oxy-4-oxidanylidene-butyl]azanium iodide Openeye Name: trimethyl-[4-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-9-enoyl]oxy-4-oxo-butyl]ammonium iodide CAS Name: trimethyl-[4-[(Z)-octadec-9-enoxy]-4-oxo-2-[(Z)-1-oxooctadec-9-enoxy]butyl]ammonium iodide IUPAC Name: trimethyl-[4-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-9-enoyl]oxy-4-oxobutyl]azanium iodide Traditional Name: [4-keto-4-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-9-enoyl]oxy-butyl]-trimethyl-ammonium iodide Formula: C43H82INO4 MolecularWeight: 804.01995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[I-]

InChI

InChI=1S/C43H82NO4.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;/h20-23,41H,6-19,24-40H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;