4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide

Systemtic Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Openeye Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide CAS Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide IUPAC Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Traditional Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide Formula: C13H21BrINO3 MolecularWeight: 446.11921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C1=CC(=CC=C1CBr)C(=O)[O-].I

Isomeric SMILES

C[N+](C)(C)CCO.C1=CC(=CC=C1CBr)C(=O)[O-].I

InChI

InChI=1S/C8H7BrO2.C5H14NO.HI/c9-5-6-1-3-7(4-2-6)8(10)11;1-6(2,3)4-5-7;/h1-4H,5H2,(H,10,11);7H,4-5H2,1-3H3;1H/q;+1;/p-1