trimethyl-[5-[3-octadecoxypropoxy-(phenylmethyl)peroxy-phosphoryl]oxypentyl]azanium

Systemtic Name: trimethyl-[5-[3-octadecoxypropoxy-(phenylmethyl)peroxy-phosphoryl]oxypentyl]azanium Openeye Name: 5-[benzylperoxy(3-octadecoxypropoxy)phosphoryl]oxypentyl-trimethyl-ammonium CAS Name: trimethyl-[5-[3-octadecoxypropoxy-(phenylmethyl)dioxyphosphoryl]oxypentyl]ammonium IUPAC Name: 5-[benzylperoxy(3-octadecoxypropoxy)phosphoryl]oxypentyl-trimethylazanium Traditional Name: 5-[benzylperoxy(3-stearyloxypropoxy)phosphoryl]oxypentyl-trimethyl-ammonium Formula: C36H69NO6P+ MolecularWeight: 642.909921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H69NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-31-39-32-27-34-42-44(38,41-33-26-21-24-30-37(2,3)4)43-40-35-36-28-22-20-23-29-36/h20,22-23,28-29H,5-19,21,24-27,30-35H2,1-4H3/q+1