trimethyl-[14-[3-octadecoxypropoxy-(phenylmethyl)peroxy-phosphoryl]oxytetradecyl]azanium

Systemtic Name: trimethyl-[14-[3-octadecoxypropoxy-(phenylmethyl)peroxy-phosphoryl]oxytetradecyl]azanium Openeye Name: 14-[benzylperoxy(3-octadecoxypropoxy)phosphoryl]oxytetradecyl-trimethyl-ammonium CAS Name: trimethyl-[14-[3-octadecoxypropoxy-(phenylmethyl)dioxyphosphoryl]oxytetradecyl]ammonium IUPAC Name: 14-[benzylperoxy(3-octadecoxypropoxy)phosphoryl]oxytetradecyl-trimethylazanium Traditional Name: 14-[benzylperoxy(3-stearyloxypropoxy)phosphoryl]oxytetradecyl-trimethyl-ammonium Formula: C45H87NO6P+ MolecularWeight: 769.149141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCCCCCCCC[N+](C)(C)C)OOCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCCCCCCCC[N+](C)(C)C)OOCC1=CC=CC=C1

InChI

InChI=1S/C45H87NO6P/c1-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28-34-40-48-41-36-43-51-53(47,52-49-44-45-37-31-30-32-38-45)50-42-35-29-26-23-20-17-15-18-21-24-27-33-39-46(2,3)4/h30-32,37-38H,5-29,33-36,39-44H2,1-4H3/q+1