2-[hexadecylperoxy-[2-(1,2-oxazol-3-yloxy)propoxy]phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[hexadecylperoxy-[2-(1,2-oxazol-3-yloxy)propoxy]phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hexadecylperoxy(2-isoxazol-3-yloxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hexadecyldioxy-[2-(3-isoxazolyloxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hexadecylperoxy-[2-(1,2-oxazol-3-yloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[cetylperoxy(2-isoxazol-3-yloxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H54N2O7P+ MolecularWeight: 549.700621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOOP(=O)(OCC[N+](C)(C)C)OCC(C)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOOP(=O)(OCC[N+](C)(C)C)OCC(C)OC1=NOC=C1

InChI

InChI=1S/C27H54N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-36-37(30,33-24-21-29(3,4)5)34-25-26(2)35-27-20-23-31-28-27/h20,23,26H,6-19,21-22,24-25H2,1-5H3/q+1