diethyl-(2-hydroxyethyl)-methyl-azanium; 2-(4-phenylphenyl)ethanoate; iodide

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 2-(4-phenylphenyl)ethanoate; iodide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2-(4-phenylphenyl)acetate; iodide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 2-(4-phenylphenyl)acetate; iodide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 2-(4-phenylphenyl)acetate; iodide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2-(4-phenylphenyl)acetate; iodide Formula: C21H29INO3- MolecularWeight: 470.36433

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[O-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[O-].[I-]

InChI

InChI=1S/C14H12O2.C7H18NO.HI/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-4-8(3,5-2)6-7-9;/h1-9H,10H2,(H,15,16);9H,4-7H2,1-3H3;1H/q;+1;/p-2