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

Systemtic Name: decyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: decyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid decyl ester iodide IUPAC Name: decyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid decyl ester iodide Formula: C24H34INO2 MolecularWeight: 495.43673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34NO2.HI/c1-3-5-6-7-8-9-10-14-19-27-24(26)23-20-25(4-2)18-17-22(23)21-15-12-11-13-16-21;/h11-13,15-18,20H,3-10,14,19H2,1-2H3;1H/q+1;/p-1