trimethyl-[6-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-6-oxidanylidene-hexyl]azanium bromide

Systemtic Name: trimethyl-[6-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-6-oxidanylidene-hexyl]azanium bromide Openeye Name: trimethyl-[6-[2-(octadecylcarbamoyloxymethyl)allyloxy]-6-oxo-hexyl]ammonium bromide CAS Name: trimethyl-[6-[2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enoxy]-6-oxohexyl]ammonium bromide IUPAC Name: trimethyl-[6-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-6-oxohexyl]azanium bromide Traditional Name: [6-keto-6-[2-(stearylcarbamoyloxymethyl)allyloxy]hexyl]-trimethyl-ammonium bromide Formula: C32H63BrN2O4 MolecularWeight: 619.75762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62N2O4.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-33-32(36)38-29-30(2)28-37-31(35)25-22-21-24-27-34(3,4)5;/h2,6-29H2,1,3-5H3;1H