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

Systemtic Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-nonadecoxy-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-nonadecoxypropoxy)-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[(2-butyryloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C31H65NO6P+ MolecularWeight: 578.824661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-36-28-30(38-31(33)24-7-2)29-37-39(34,35)27-25-32(3,4)5/h30H,6-29H2,1-5H3/p+1