2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CCC

InChI

InChI=1S/C29H60NO6P/c1-7-9-10-11-12-13-14-15-16-17-19-26(3)22-27(4)23-34-24-28(36-29(31)18-8-2)25-35-37(32,33)21-20-30(5)6/h26-28H,7-25H2,1-6H3,(H,32,33)/p+1