trimethyl-[2-[3-(octadecylcarbamoyloxy)propoxy-(phenylmethyl)peroxy-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[3-(octadecylcarbamoyloxy)propoxy-(phenylmethyl)peroxy-phosphoryl]oxyethyl]azanium Openeye Name: 2-[benzylperoxy-[3-(octadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: trimethyl-[2-[3-[(octadecylamino)-oxomethoxy]propoxy-(phenylmethyl)dioxyphosphoryl]oxyethyl]ammonium IUPAC Name: 2-[benzylperoxy-[3-(octadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[benzylperoxy-[3-(stearylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H64N2O7P+ MolecularWeight: 643.854921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOP(=O)(OCC[N+](C)(C)C)OOCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOP(=O)(OCC[N+](C)(C)C)OOCC1=CC=CC=C1

InChI

InChI=1S/C34H63N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-34(37)39-29-24-30-41-44(38,42-31-28-36(2,3)4)43-40-32-33-25-21-20-22-26-33/h20-22,25-26H,5-19,23-24,27-32H2,1-4H3/p+1