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

Systemtic Name: 4-[2-(hexadecoxymethyl)prop-2-enoxycarbonylamino]butyl-trimethyl-azanium bromide Openeye Name: 4-[2-(hexadecoxymethyl)allyloxycarbonylamino]butyl-trimethyl-ammonium bromide CAS Name: 4-[[2-(hexadecoxymethyl)prop-2-enoxy-oxomethyl]amino]butyl-trimethylammonium bromide IUPAC Name: 4-[2-(hexadecoxymethyl)prop-2-enoxycarbonylamino]butyl-trimethylazanium bromide Traditional Name: 4-[2-(cetyloxymethyl)allyloxycarbonylamino]butyl-trimethyl-ammonium bromide Formula: C28H57BrN2O3 MolecularWeight: 549.66778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56N2O3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-25-27(2)26-33-28(31)29-22-19-20-23-30(3,4)5;/h2,6-26H2,1,3-5H3;1H