trimethyl-[2-[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propoxy]phosphanyloxyethyl]azanium

Systemtic Name: trimethyl-[2-[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propoxy]phosphanyloxyethyl]azanium Openeye Name: trimethyl-[2-[3-octadecoxy-2-(3-oxobutanoyloxy)propoxy]phosphanyloxyethyl]ammonium CAS Name: 2-[2-(1,3-dioxobutoxy)-3-octadecoxypropoxy]phosphinooxyethyl-trimethylammonium IUPAC Name: trimethyl-[2-[3-octadecoxy-2-(3-oxobutanoyloxy)propoxy]phosphanyloxyethyl]azanium Traditional Name: 2-(2-acetoacetyloxy-3-stearyloxy-propoxy)phosphinooxyethyl-trimethyl-ammonium Formula: C30H61NO6P+ MolecularWeight: 562.782201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COPOCC[N+](C)(C)C)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COPOCC[N+](C)(C)C)OC(=O)CC(=O)C

InChI

InChI=1S/C30H61NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34-26-29(37-30(33)25-28(2)32)27-36-38-35-24-22-31(3,4)5/h29,38H,6-27H2,1-5H3/q+1