4-(2-ethoxy-3-hexadecoxy-propoxy)butyl-trimethyl-azanium bromide

Systemtic Name: 4-(2-ethoxy-3-hexadecoxy-propoxy)butyl-trimethyl-azanium bromide Openeye Name: 4-(2-ethoxy-3-hexadecoxy-propoxy)butyl-trimethyl-ammonium bromide CAS Name: 4-(2-ethoxy-3-hexadecoxypropoxy)butyl-trimethylammonium bromide IUPAC Name: 4-(2-ethoxy-3-hexadecoxypropoxy)butyl-trimethylazanium bromide Traditional Name: 4-(3-cetyloxy-2-ethoxy-propoxy)butyl-trimethyl-ammonium bromide Formula: C28H60BrNO3 MolecularWeight: 538.6849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OCC.[Br-]

InChI

InChI=1S/C28H60NO3.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-26-28(32-7-2)27-31-25-22-20-23-29(3,4)5;/h28H,6-27H2,1-5H3;1H/q+1;/p-1