diethyl-(2-hydroxyethyl)-methyl-azanium; 2,3-diphenylterephthalate; iodide

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 2,3-diphenylterephthalate; iodide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2,3-diphenylterephthalate; iodide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 2,3-diphenylterephthalate; iodide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 2,3-diphenylterephthalate; iodide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2,3-diphenylterephthalate; iodide Formula: C27H30INO5-2 MolecularWeight: 575.43527

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-].[I-]

InChI

InChI=1S/C20H14O4.C7H18NO.HI/c21-19(22)15-11-12-16(20(23)24)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13;1-4-8(3,5-2)6-7-9;/h1-12H,(H,21,22)(H,23,24);9H,4-7H2,1-3H3;1H/q;+1;/p-3