trimethyl-[4-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]butyl]azanium bromide

Systemtic Name: trimethyl-[4-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]butyl]azanium bromide Openeye Name: trimethyl-[4-[2-(octadecylcarbamoyloxymethyl)allyloxycarbonylamino]butyl]ammonium bromide CAS Name: trimethyl-[4-[[2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enoxy-oxomethyl]amino]butyl]ammonium bromide IUPAC Name: trimethyl-[4-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxycarbonylamino]butyl]azanium bromide Traditional Name: trimethyl-[4-[2-(stearylcarbamoyloxymethyl)allyloxycarbonylamino]butyl]ammonium bromide Formula: C31H62BrN3O4 MolecularWeight: 620.74568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H61N3O4.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-30(35)37-27-29(2)28-38-31(36)33-25-22-23-26-34(3,4)5;/h2,6-28H2,1,3-5H3,(H-,32,33,35,36);1H