2-cyclohexyl-2-phenyl-ethanoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide

Systemtic Name: 2-cyclohexyl-2-phenyl-ethanoate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Openeye Name: 2-cyclohexyl-2-phenyl-acetate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide CAS Name: 2-cyclohexyl-2-phenylacetate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide IUPAC Name: 2-cyclohexyl-2-phenylacetate; 2-hydroxyethyl(trimethyl)azanium; hydroiodide Traditional Name: 2-cyclohexyl-2-phenyl-acetate; 2-hydroxyethyl(trimethyl)ammonium; hydroiodide Formula: C19H32INO3 MolecularWeight: 449.36675

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C1CCC(CC1)C(C2=CC=CC=C2)C(=O)[O-].I

Isomeric SMILES

C[N+](C)(C)CCO.C1CCC(CC1)C(C2=CC=CC=C2)C(=O)[O-].I

InChI

InChI=1S/C14H18O2.C5H14NO.HI/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2,3)4-5-7;/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16);7H,4-5H2,1-3H3;1H/q;+1;/p-1