2-[4-(2-bromanylpropan-2-yl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide

Systemtic Name: 2-[4-(2-bromanylpropan-2-yl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide Openeye Name: 2-[4-(1-bromo-1-methyl-ethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[4-(2-bromopropan-2-yl)phenyl]-oxomethoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[4-(2-bromopropan-2-yl)benzoyl]oxyethyl-trimethylazanium iodide Traditional Name: 2-[4-(1-bromo-1-methyl-ethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide Formula: C15H23BrINO2 MolecularWeight: 456.15709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)OCC[N+](C)(C)C)Br.[I-]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)OCC[N+](C)(C)C)Br.[I-]

InChI

InChI=1S/C15H23BrNO2.HI/c1-15(2,16)13-8-6-12(7-9-13)14(18)19-11-10-17(3,4)5;/h6-9H,10-11H2,1-5H3;1H/q+1;/p-1