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

Systemtic Name: 2-[butanoylperoxy-[3-(octadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[butanoylperoxy-[3-(octadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: trimethyl-[2-[3-[(octadecylamino)-oxomethoxy]propoxy-(1-oxobutyldioxy)phosphoryl]oxyethyl]ammonium IUPAC Name: 2-[butanoylperoxy-[3-(octadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[butyrylperoxy-[3-(stearylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H64N2O8P+ MolecularWeight: 623.822221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)CCC

InChI

InChI=1S/C31H63N2O8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-31(35)37-27-23-28-38-42(36,39-29-26-33(3,4)5)41-40-30(34)24-7-2/h6-29H2,1-5H3/p+1