phenyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: phenyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: phenyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid phenyl ester iodide IUPAC Name: phenyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid phenyl ester iodide Formula: C20H18INO2 MolecularWeight: 431.26689

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H18NO2.HI/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17;/h3-15H,2H2,1H3;1H/q+1;/p-1