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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-34-26-28(36-29(31)22-7-2)27-35-37(32,33)25-23-30(3,4)5/h28H,6-27H2,1-5H3/p+1