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

Systemtic Name: octyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: octyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid octyl ester iodide IUPAC Name: octyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid octyl ester iodide Formula: C22H30INO2 MolecularWeight: 467.38357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C22H30NO2.HI/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19;/h9-11,13-16,18H,3-8,12,17H2,1-2H3;1H/q+1;/p-1