[2,6-di(propan-2-yl)phenyl] 1-pentylpyridin-1-ium-4-carboxylate iodide

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 1-pentylpyridin-1-ium-4-carboxylate iodide Openeye Name: (2,6-diisopropylphenyl) 1-pentylpyridin-1-ium-4-carboxylate iodide CAS Name: 1-pentyl-4-pyridin-1-iumcarboxylic acid [2,6-di(propan-2-yl)phenyl] ester iodide IUPAC Name: [2,6-di(propan-2-yl)phenyl] 1-pentylpyridin-1-ium-4-carboxylate iodide Traditional Name: 1-amylpyridin-1-ium-4-carboxylic acid (2,6-diisopropylphenyl) ester iodide Formula: C23H32INO2 MolecularWeight: 481.41015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2C(C)C)C(C)C.[I-]

Isomeric SMILES

CCCCC[N+]1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2C(C)C)C(C)C.[I-]

InChI

InChI=1S/C23H32NO2.HI/c1-6-7-8-14-24-15-12-19(13-16-24)23(25)26-22-20(17(2)3)10-9-11-21(22)18(4)5;/h9-13,15-18H,6-8,14H2,1-5H3;1H/q+1;/p-1