2-cyclohexyl-2-phenyl-ethanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; iodide

Systemtic Name: 2-cyclohexyl-2-phenyl-ethanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; iodide Openeye Name: 2-cyclohexyl-2-phenyl-acetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; iodide CAS Name: 2-cyclohexyl-2-phenylacetate; diethyl-(2-hydroxyethyl)-methylammonium; iodide IUPAC Name: 2-cyclohexyl-2-phenylacetate; diethyl-(2-hydroxyethyl)-methylazanium; iodide Traditional Name: 2-cyclohexyl-2-phenyl-acetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; iodide Formula: C21H35INO3- MolecularWeight: 476.41197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2.C7H18NO.HI/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-8(3,5-2)6-7-9;/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16);9H,4-7H2,1-3H3;1H/q;+1;/p-2