2-[3-(bromomethyl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide

Systemtic Name: 2-[3-(bromomethyl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide Openeye Name: 2-[3-(bromomethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[3-(bromomethyl)phenyl]-oxomethoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[3-(bromomethyl)benzoyl]oxyethyl-trimethylazanium iodide Traditional Name: 2-[3-(bromomethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide Formula: C13H19BrINO2 MolecularWeight: 428.10393

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1=CC(=CC=C1)CBr.[I-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1=CC(=CC=C1)CBr.[I-]

InChI

InChI=1S/C13H19BrNO2.HI/c1-15(2,3)7-8-17-13(16)12-6-4-5-11(9-12)10-14;/h4-6,9H,7-8,10H2,1-3H3;1H/q+1;/p-1