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

Systemtic Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-methyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-methyl-ammonium CAS Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-methylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxyphosphoryl]ethyl-methylazanium Traditional Name: 2-[[2-butyryloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-methyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

InChI

InChI=1S/C28H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-18-25(3)21-26(4)22-33-23-27(35-28(30)17-7-2)24-34-36(31,32)20-19-29-5/h25-27,29H,6-24H2,1-5H3,(H,31,32)/p+1