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

Systemtic Name: trimethyl-[2-[(Z)-octadec-9-enoyl]oxy-4-octadecoxy-4-oxidanylidene-butyl]azanium Openeye Name: trimethyl-[2-[(Z)-octadec-9-enoyl]oxy-4-octadecoxy-4-oxo-butyl]ammonium CAS Name: trimethyl-[4-octadecoxy-4-oxo-2-[(Z)-1-oxooctadec-9-enoxy]butyl]ammonium IUPAC Name: trimethyl-[2-[(Z)-octadec-9-enoyl]oxy-4-octadecoxy-4-oxobutyl]azanium Traditional Name: [4-keto-2-[(Z)-octadec-9-enoyl]oxy-4-stearyloxy-butyl]-trimethyl-ammonium Formula: C43H84NO4+ MolecularWeight: 679.13136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C43H84NO4/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/h21,23,41H,6-20,22,24-40H2,1-5H3/q+1/b23-21-