trimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]propyl]azanium

Systemtic Name: trimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]propyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]propyl-trimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxobutyl)eicosoxy]phosphoryl]propyl-trimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]propyl-trimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketobutyl)eicosoxy]phosphoryl]propyl-trimethyl-ammonium Formula: C30H63NO4P+ MolecularWeight: 532.799281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(CCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(CCC[N+](C)(C)C)O

InChI

InChI=1S/C30H62NO4P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(27-30(32)7-2)28-35-36(33,34)26-23-25-31(3,4)5/h29H,6-28H2,1-5H3/p+1