2-[[2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(2-methylhexadecoxy)-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(2-methylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCC

InChI

InChI=1S/C29H60NO6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-21-27(3)24-34-25-28(36-29(31)20-8-2)26-35-37(32,33)23-22-30(4,5)6/h27-28H,7-26H2,1-6H3/p+1