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

Systemtic Name: 2-[(3-heptadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[(3-heptadecoxy-2-propanoyloxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[3-heptadecoxy-2-(1-oxopropoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[(3-heptadecoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[(3-heptadecoxy-2-propionyloxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-27(35-28(30)7-2)26-34-36(31,32)24-22-29(3,4)5/h27H,6-26H2,1-5H3/p+1