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

Systemtic Name: dimethyl-[2-[(3-nonadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl]azanium Openeye Name: 2-[hydroxy-(3-nonadecoxy-2-propanoyloxy-propoxy)phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[3-nonadecoxy-2-(1-oxopropoxy)propoxy]phosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[hydroxy-(3-nonadecoxy-2-propanoyloxypropoxy)phosphoryl]ethyl-dimethylazanium Traditional Name: 2-[hydroxy-(3-nonadecoxy-2-propionyloxy-propoxy)phosphoryl]ethyl-dimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-26-28(36-29(31)6-2)27-35-37(32,33)25-23-30(3)4/h28H,5-27H2,1-4H3,(H,32,33)/p+1