[2,3-bis[[(E)-octadec-9-enoyl]oxy]-3-octadecyl-henicosyl]-trimethyl-azanium

Systemtic Name: [2,3-bis[[(E)-octadec-9-enoyl]oxy]-3-octadecyl-henicosyl]-trimethyl-azanium Openeye Name: [2,3-bis[[(E)-octadec-9-enoyl]oxy]-3-octadecyl-henicosyl]-trimethyl-ammonium CAS Name: trimethyl-[3-octadecyl-2,3-bis[(E)-1-oxooctadec-9-enoxy]heneicosyl]ammonium IUPAC Name: [2,3-bis[[(E)-octadec-9-enoyl]oxy]-3-octadecylhenicosyl]-trimethylazanium Traditional Name: [2,3-bis[[(E)-octadec-9-enoyl]oxy]-3-stearyl-heneicosyl]-trimethyl-ammonium Formula: C78H152NO4+ MolecularWeight: 1168.04578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C78H152NO4/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-72-78(73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2,83-77(81)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4)75(74-79(5,6)7)82-76(80)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3/h38-39,42-43,75H,8-37,40-41,44-74H2,1-7H3/q+1/b42-38+,43-39+