[4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxobutyl]-trimethylazanium Traditional Name: [4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-keto-butyl]-trimethyl-ammonium Formula: C46H86NO6+ MolecularWeight: 749.17814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H86NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-44(48)51-41-43(42-52-45(49)39-36-40-47(3,4)5)53-46(50)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,43H,6-19,24-42H2,1-5H3/q+1/b22-20+,23-21+