2,2-diphenylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2,2-diphenylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 2,2-diphenylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2,2-diphenylethyl ester iodide IUPAC Name: 2,2-diphenylethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 2,2-diphenylethyl ester iodide Formula: C28H26INO2 MolecularWeight: 535.41601

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C28H26NO2.HI/c1-2-29-19-18-25(22-12-6-3-7-13-22)26(20-29)28(30)31-21-27(23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-20,27H,2,21H2,1H3;1H/q+1;/p-1