trimethyl-[2-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]ethyl]azanium bromide

Systemtic Name: trimethyl-[2-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]ethyl]azanium bromide Openeye Name: trimethyl-[2-[2-(octadecylcarbamoyloxymethyl)allyloxycarbonylamino]ethyl]ammonium bromide CAS Name: trimethyl-[2-[[2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enoxy-oxomethyl]amino]ethyl]ammonium bromide IUPAC Name: trimethyl-[2-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]ethyl]azanium bromide Traditional Name: trimethyl-[2-[2-(stearylcarbamoyloxymethyl)allyloxycarbonylamino]ethyl]ammonium bromide Formula: C29H58BrN3O4 MolecularWeight: 592.69252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)NCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)NCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C29H57N3O4.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-28(33)35-25-27(2)26-36-29(34)31-23-24-32(3,4)5;/h2,6-26H2,1,3-5H3,(H-,30,31,33,34);1H