2-hydroxyethyl(trimethyl)azanium; terephthalate; iodide

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; terephthalate; iodide Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; terephthalate; iodide CAS Name: 2-hydroxyethyl(trimethyl)ammonium; terephthalate; iodide IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; terephthalate; iodide Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; terephthalate; iodide Formula: C13H18INO5-2 MolecularWeight: 395.19019

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)CCO.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[I-]

InChI

InChI=1S/C8H6O4.C5H14NO.HI/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-6(2,3)4-5-7;/h1-4H,(H,9,10)(H,11,12);7H,4-5H2,1-3H3;1H/q;+1;/p-3