2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 2-(2-isopropylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-(1-oxo-2-propan-2-ylpentoxy)ethyl ester iodide IUPAC Name: 2-(2-propan-2-ylpentanoyloxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-(2-isopropylpentanoyloxy)ethyl ester iodide Formula: C17H26INO4 MolecularWeight: 435.29711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)C(=O)OCCOC(=O)C1=C[N+](=CC=C1)C.[I-]

Isomeric SMILES

CCCC(C(C)C)C(=O)OCCOC(=O)C1=C[N+](=CC=C1)C.[I-]

InChI

InChI=1S/C17H26NO4.HI/c1-5-7-15(13(2)3)17(20)22-11-10-21-16(19)14-8-6-9-18(4)12-14;/h6,8-9,12-13,15H,5,7,10-11H2,1-4H3;1H/q+1;/p-1