[3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-hexanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxohexoxy)-2-[1-oxo-4-(phenylmethoxycarbonylamino)butoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-caproyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H43N2O10P MolecularWeight: 574.600781

Click to see the large picture

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)