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

Systemtic Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[3-nonadecoxy-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-nonadecoxypropoxy)-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[(2-butyryloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C30H63NO6P+ MolecularWeight: 564.798081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-35-27-29(37-30(32)23-6-2)28-36-38(33,34)26-24-31(3)4/h29H,5-28H2,1-4H3,(H,33,34)/p+1