2-[[3-dodecanoyloxy-2-[2-[(6-hexanoylnaphthalen-2-yl)-methyl-amino]ethanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-dodecanoyloxy-2-[2-[(6-hexanoylnaphthalen-2-yl)-methyl-amino]ethanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-dodecanoyloxy-2-[2-[(6-hexanoyl-2-naphthyl)-methyl-amino]acetyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[2-[methyl-[6-(1-oxohexyl)-2-naphthalenyl]amino]-1-oxoethoxy]-3-(1-oxododecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-dodecanoyloxy-2-[2-[(6-hexanoylnaphthalen-2-yl)-methylamino]acetyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[2-[(6-caproyl-2-naphthyl)-methyl-amino]acetyl]oxy-3-lauroyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C39H64N2O9P+ MolecularWeight: 735.907221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)CCCCC

InChI

InChI=1S/C39H63N2O9P/c1-7-9-11-12-13-14-15-16-18-20-38(43)47-30-36(31-49-51(45,46)48-26-25-41(4,5)6)50-39(44)29-40(3)35-24-23-32-27-34(22-21-33(32)28-35)37(42)19-17-10-8-2/h21-24,27-28,36H,7-20,25-26,29-31H2,1-6H3/p+1