2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 2-(p-tolyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2-(4-methylphenyl)ethyl ester iodide IUPAC Name: 2-(4-methylphenyl)ethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 2-(p-tolyl)ethyl ester iodide Formula: C23H24INO2 MolecularWeight: 473.34663

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C23H24NO2.HI/c1-3-24-15-13-21(20-7-5-4-6-8-20)22(17-24)23(25)26-16-14-19-11-9-18(2)10-12-19;/h4-13,15,17H,3,14,16H2,1-2H3;1H/q+1;/p-1