4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-trimethyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 4-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-trimethylammonium IUPAC Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 4-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C28H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-25-28(35-27(2)30)26-34-36(31,32)24-21-19-22-29(3,4)5/h28H,6-26H2,1-5H3/p+1