2-[[3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-hexanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxohexoxy)-2-[1-oxo-4-(phenylmethoxycarbonylamino)butoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-caproyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H44N2O10P+ MolecularWeight: 575.608721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C26H43N2O10P/c1-5-6-8-14-24(29)34-20-23(21-37-39(32,33)36-18-17-28(2,3)4)38-25(30)15-11-16-27-26(31)35-19-22-12-9-7-10-13-22/h7,9-10,12-13,23H,5-6,8,11,14-21H2,1-4H3,(H-,27,31,32,33)/p+1