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

Systemtic Name: pentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: pentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid pentyl ester iodide IUPAC Name: pentyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid amyl ester iodide Formula: C19H24INO2 MolecularWeight: 425.30383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NO2.HI/c1-3-5-9-14-22-19(21)18-15-20(4-2)13-12-17(18)16-10-7-6-8-11-16;/h6-8,10-13,15H,3-5,9,14H2,1-2H3;1H/q+1;/p-1