2-[ethanoyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[ethanoyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[acetyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[acetyl-[[2-methoxy-3-[(octadecylamino)-oxomethoxy]propoxy]-oxomethyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[acetyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl-trimethylazanium iodide Traditional Name: 2-[acetyl-[2-methoxy-3-(stearylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-ammonium iodide Formula: C31H62IN3O6 MolecularWeight: 699.74495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)OC.[I-]

InChI

InChI=1S/C31H61N3O6.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-30(36)39-26-29(38-6)27-40-31(37)33(28(2)35)24-25-34(3,4)5;/h29H,7-27H2,1-6H3;1H