2-[(3-hexadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-hexadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[(3-hexadecoxy-2-propanoyloxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-hexadecoxy-2-(1-oxopropoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[(3-hexadecoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[(3-cetyloxy-2-propionyloxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C26H55NO6P+ MolecularWeight: 508.691761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CC

InChI

InChI=1S/C26H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-25(33-26(28)6-2)24-32-34(29,30)22-20-27(3)4/h25H,5-24H2,1-4H3,(H,29,30)/p+1