(5-methyl-2-propan-2-yl-cyclohexyl) 1-methylpyridin-1-ium-4-carboxylate iodide

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-methylpyridin-1-ium-4-carboxylate iodide Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-methylpyridin-1-ium-4-carboxylate iodide CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester iodide IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-methylpyridin-1-ium-4-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=[N+](C=C2)C)C(C)C.[I-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=[N+](C=C2)C)C(C)C.[I-]

InChI

InChI=1S/C17H26NO2.HI/c1-12(2)15-6-5-13(3)11-16(15)20-17(19)14-7-9-18(4)10-8-14;/h7-10,12-13,15-16H,5-6,11H2,1-4H3;1H/q+1;/p-1