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

Systemtic Name: 3-azanylbenzoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Openeye Name: 3-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide CAS Name: 3-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide IUPAC Name: 3-aminobenzoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Traditional Name: 3-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide Formula: C12H21IN2O3 MolecularWeight: 368.21121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C5H14NO.HI/c8-6-3-1-2-5(4-6)7(9)10;1-6(2,3)4-5-7;/h1-4H,8H2,(H,9,10);7H,4-5H2,1-3H3;1H/q;+1;/p-1