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trimethyl-[2-[[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

trimethyl-[2-[[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name:trimethyl-[2-[[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
Openeye Name:2-[hydroxy-[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
CAS Name:2-[hydroxy-[3-(1-oxooctadecoxy)-2-(1-oxo-2-pentylheptoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium
IUPAC Name:2-[hydroxy-[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Traditional Name:2-[[2-(2-amylheptanoyloxy)-3-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
Formula: C38H77NO8P+
MolecularWeight: 706.993641
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCCC)CCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCCC)CCCCC


InChI

InChI=1S/C38H76NO8P/c1-7-10-13-14-15-16-17-18-19-20-21-22-23-24-27-30-37(40)44-33-36(34-46-48(42,43)45-32-31-39(4,5)6)47-38(41)35(28-25-11-8-2)29-26-12-9-3/h35-36H,7-34H2,1-6H3/p+1


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