2-hydroxyethyl(trimethyl)azanium; 3-nitrobenzoate; hydroiodide

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 3-nitrobenzoate; hydroiodide Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; 3-nitrobenzoate; hydroiodide CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 3-nitrobenzoate; hydroiodide IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 3-nitrobenzoate; hydroiodide Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; 3-nitrobenzoate; hydroiodide Formula: C12H19IN2O5 MolecularWeight: 398.19413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO4.C5H14NO.HI/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6(2,3)4-5-7;/h1-4H,(H,9,10);7H,4-5H2,1-3H3;1H/q;+1;/p-1