trimethyl-[6-[(E)-octadec-9-enoyl]oxy-5-oxidanyl-4-oxidanylidene-7-[(E)-2-oxidanylideneoctadec-10-enoxy]heptyl]azanium

Systemtic Name: trimethyl-[6-[(E)-octadec-9-enoyl]oxy-5-oxidanyl-4-oxidanylidene-7-[(E)-2-oxidanylideneoctadec-10-enoxy]heptyl]azanium Openeye Name: [5-hydroxy-6-[(E)-octadec-9-enoyl]oxy-4-oxo-7-[(E)-2-oxooctadec-10-enoxy]heptyl]-trimethyl-ammonium CAS Name: [5-hydroxy-4-oxo-6-[(E)-1-oxooctadec-9-enoxy]-7-[(E)-2-oxooctadec-10-enoxy]heptyl]-trimethylammonium IUPAC Name: [5-hydroxy-6-[(E)-octadec-9-enoyl]oxy-4-oxo-7-[(E)-2-oxooctadec-10-enoxy]heptyl]-trimethylazanium Traditional Name: [5-hydroxy-4-keto-7-[(E)-2-ketooctadec-10-enoxy]-6-[(E)-octadec-9-enoyl]oxy-heptyl]-trimethyl-ammonium Formula: C46H86NO6+ MolecularWeight: 749.17814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H86NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-45(50)53-44(46(51)43(49)37-35-39-47(3,4)5)41-52-40-42(48)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h19-22,44,46,51H,6-18,23-41H2,1-5H3/q+1/b21-19+,22-20+