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

Systemtic Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)azanium; iodide Openeye Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; iodide CAS Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; iodide IUPAC Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)azanium; iodide Traditional Name: 4-(bromomethyl)benzoate; 2-hydroxyethyl(trimethyl)ammonium; iodide Formula: C13H20BrINO3- MolecularWeight: 445.11127

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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-2