2-[hexadecanoyloxy-[(E)-3-hexadecanoyloxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[hexadecanoyloxy-[(E)-3-hexadecanoyloxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hexadecanoyloxy-[(E)-3-hexadecanoyloxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: trimethyl-[2-[1-oxohexadecoxy-[(E)-3-(1-oxohexadecoxy)-2-(1-oxononadecylamino)octadec-4-enoxy]phosphoryl]oxyethyl]ammonium IUPAC Name: 2-[hexadecanoyloxy-[(E)-3-hexadecanoyloxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hexadecanoyloxy-[(E)-3-hexadecanoyloxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C74H146N2O8P+ MolecularWeight: 1222.933401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)C(/C=C/CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C74H145N2O8P/c1-8-12-16-20-24-28-32-36-37-38-42-44-48-52-56-60-64-72(77)75-70(69-82-85(80,81-68-67-76(5,6)7)84-74(79)66-62-58-54-50-46-41-35-31-27-23-19-15-11-4)71(63-59-55-51-47-43-39-33-29-25-21-17-13-9-2)83-73(78)65-61-57-53-49-45-40-34-30-26-22-18-14-10-3/h59,63,70-71H,8-58,60-62,64-69H2,1-7H3/p+1/b63-59+