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

Systemtic Name: 2-[[2-[2-[(6-dodecanoylnaphthalen-2-yl)-methyl-amino]ethanoyloxy]-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[2-[(6-dodecanoyl-2-naphthyl)-methyl-amino]acetyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[2-[methyl-[6-(1-oxododecyl)-2-naphthalenyl]amino]-1-oxoethoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[2-[(6-dodecanoylnaphthalen-2-yl)-methylamino]acetyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-[2-[(6-lauroyl-2-naphthyl)-methyl-amino]acetyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C49H84N2O9P+ MolecularWeight: 876.173021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=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)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=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)CCCCCCCCCCC

InChI

InChI=1S/C49H83N2O9P/c1-7-9-11-13-15-17-18-19-20-22-24-26-28-30-48(53)57-40-46(41-59-61(55,56)58-36-35-51(4,5)6)60-49(54)39-50(3)45-34-33-42-37-44(32-31-43(42)38-45)47(52)29-27-25-23-21-16-14-12-10-8-2/h31-34,37-38,46H,7-30,35-36,39-41H2,1-6H3/p+1