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

Systemtic Name: 2-[butanoyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[butanoyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[[[2-methoxy-3-[(octadecylamino)-oxomethoxy]propoxy]-oxomethyl]-(1-oxobutyl)amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[butanoyl-[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl-trimethylazanium iodide Traditional Name: 2-[butyryl-[2-methoxy-3-(stearylcarbamoyloxy)propoxy]carbonyl-amino]ethyl-trimethyl-ammonium iodide Formula: C33H66IN3O6 MolecularWeight: 727.79811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H65N3O6.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-34-32(38)41-28-30(40-6)29-42-33(39)35(31(37)24-8-2)26-27-36(3,4)5;/h30H,7-29H2,1-6H3;1H