4-[[2-acetyloxy-3-(2-methylhexadecoxy)propoxy]-oxidanyl-phosphoryl]butyl-trimethyl-azanium

Systemtic Name: 4-[[2-acetyloxy-3-(2-methylhexadecoxy)propoxy]-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 4-[[2-acetoxy-3-(2-methylhexadecoxy)propoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(2-methylhexadecoxy)propoxy]-hydroxyphosphoryl]butyl-trimethylammonium IUPAC Name: 4-[[2-acetyloxy-3-(2-methylhexadecoxy)propoxy]-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 4-[[2-acetoxy-3-(2-methylhexadecoxy)propoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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