[3-(15-methylhexadecoxy)-2-phenylmethoxy-propyl] 10-(trimethylazaniumyl)decyl phosphate

Systemtic Name: [3-(15-methylhexadecoxy)-2-phenylmethoxy-propyl] 10-(trimethylazaniumyl)decyl phosphate Openeye Name: [2-benzyloxy-3-(15-methylhexadecoxy)propyl] 10-(trimethylammonio)decyl phosphate CAS Name: [3-(15-methylhexadecoxy)-2-phenylmethoxypropyl] 10-(trimethylammonio)decyl phosphate IUPAC Name: [3-(15-methylhexadecoxy)-2-phenylmethoxypropyl] 10-(trimethylazaniumyl)decyl phosphate Traditional Name: [2-benzoxy-3-(15-methylhexadecoxy)propyl] 10-(trimethylammonio)decyl phosphate Formula: C40H76NO6P MolecularWeight: 698.008301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C40H76NO6P/c1-38(2)29-23-18-14-10-8-6-7-9-12-16-20-27-33-44-36-40(45-35-39-30-24-22-25-31-39)37-47-48(42,43)46-34-28-21-17-13-11-15-19-26-32-41(3,4)5/h22,24-25,30-31,38,40H,6-21,23,26-29,32-37H2,1-5H3