(3-heptanoyloxyphenyl)-trimethyl-azanium bromide

Systemtic Name: (3-heptanoyloxyphenyl)-trimethyl-azanium bromide Openeye Name: (3-heptanoyloxyphenyl)-trimethyl-ammonium bromide CAS Name: trimethyl-[3-(1-oxoheptoxy)phenyl]ammonium bromide IUPAC Name: (3-heptanoyloxyphenyl)-trimethylazanium bromide Traditional Name: (3-enanthyloxyphenyl)-trimethyl-ammonium bromide Formula: C16H26BrNO2 MolecularWeight: 344.28714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C16H26NO2.BrH/c1-5-6-7-8-12-16(18)19-15-11-9-10-14(13-15)17(2,3)4;/h9-11,13H,5-8,12H2,1-4H3;1H/q+1;/p-1