[3-(2-methylpropanoyloxy)-2-(2-methylpropanoyloxymethyl)-2-(1-methylpyridin-1-ium-4-yl)propyl] 2-methylpropanoate iodide

Systemtic Name: [3-(2-methylpropanoyloxy)-2-(2-methylpropanoyloxymethyl)-2-(1-methylpyridin-1-ium-4-yl)propyl] 2-methylpropanoate iodide Openeye Name: [3-(2-methylpropanoyloxy)-2-(2-methylpropanoyloxymethyl)-2-(1-methylpyridin-1-ium-4-yl)propyl] 2-methylpropanoate iodide CAS Name: 2-methylpropanoic acid [3-(2-methyl-1-oxopropoxy)-2-[(2-methyl-1-oxopropoxy)methyl]-2-(1-methyl-4-pyridin-1-iumyl)propyl] ester iodide IUPAC Name: [3-(2-methylpropanoyloxy)-2-(2-methylpropanoyloxymethyl)-2-(1-methylpyridin-1-ium-4-yl)propyl] 2-methylpropanoate iodide Traditional Name: 2-methylpropionic acid [3-isobutyryloxy-2-(isobutyryloxymethyl)-2-(1-methylpyridin-1-ium-4-yl)propyl] ester iodide Formula: C22H34INO6 MolecularWeight: 535.41293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(COC(=O)C(C)C)(COC(=O)C(C)C)C1=CC=[N+](C=C1)C.[I-]

Isomeric SMILES

CC(C)C(=O)OCC(COC(=O)C(C)C)(COC(=O)C(C)C)C1=CC=[N+](C=C1)C.[I-]

InChI

InChI=1S/C22H34NO6.HI/c1-15(2)19(24)27-12-22(13-28-20(25)16(3)4,14-29-21(26)17(5)6)18-8-10-23(7)11-9-18;/h8-11,15-17H,12-14H2,1-7H3;1H/q+1;/p-1