1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl 2,2,4,4-tetramethylpentanoate iodide

Systemtic Name: 1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl 2,2,4,4-tetramethylpentanoate iodide Openeye Name: [1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,2,4,4-tetramethylpentanoate iodide CAS Name: 2,2,4,4-tetramethylpentanoic acid 1-(1-methyl-1-piperidin-1-iumyl)propan-2-yl ester iodide IUPAC Name: 1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl 2,2,4,4-tetramethylpentanoate iodide Traditional Name: 2,2,4,4-tetramethylvaleric acid [1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester iodide Formula: C18H36INO2 MolecularWeight: 425.38841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCC1)C)OC(=O)C(C)(C)CC(C)(C)C.[I-]

Isomeric SMILES

CC(C[N+]1(CCCCC1)C)OC(=O)C(C)(C)CC(C)(C)C.[I-]

InChI

InChI=1S/C18H36NO2.HI/c1-15(13-19(7)11-9-8-10-12-19)21-16(20)18(5,6)14-17(2,3)4;/h15H,8-14H2,1-7H3;1H/q+1;/p-1