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

Systemtic Name: butyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: butyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid butyl ester iodide IUPAC Name: butyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid butyl ester iodide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO2.HI/c1-3-5-13-21-18(20)17-14-19(4-2)12-11-16(17)15-9-7-6-8-10-15;/h6-12,14H,3-5,13H2,1-2H3;1H/q+1;/p-1