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

Systemtic Name: 2-[2-(hexadecoxymethyl)prop-2-enoxycarbonylamino]ethyl-trimethyl-azanium bromide Openeye Name: 2-[2-(hexadecoxymethyl)allyloxycarbonylamino]ethyl-trimethyl-ammonium bromide CAS Name: 2-[[2-(hexadecoxymethyl)prop-2-enoxy-oxomethyl]amino]ethyl-trimethylammonium bromide IUPAC Name: 2-[2-(hexadecoxymethyl)prop-2-enoxycarbonylamino]ethyl-trimethylazanium bromide Traditional Name: 2-[2-(cetyloxymethyl)allyloxycarbonylamino]ethyl-trimethyl-ammonium bromide Formula: C26H53BrN2O3 MolecularWeight: 521.61462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52N2O3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-23-25(2)24-31-26(29)27-20-21-28(3,4)5;/h2,6-24H2,1,3-5H3;1H