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

Systemtic Name: 2-[(3-heptadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[(3-heptadecoxy-2-propanoyloxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-heptadecoxy-2-(1-oxopropoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[(3-heptadecoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[(3-heptadecoxy-2-propionyloxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C27H57NO6P+ MolecularWeight: 522.718341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-26(34-27(29)6-2)25-33-35(30,31)23-21-28(3)4/h26H,5-25H2,1-4H3,(H,30,31)/p+1