2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methyl-hexanoate iodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methyl-hexanoate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methyl-hexanoate iodide CAS Name: 2-ethyl-2-methylhexanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methylhexanoate iodide Traditional Name: 2-ethyl-2-methyl-hexanoic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C17H34INO2 MolecularWeight: 411.36183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H34NO2.HI/c1-5-7-11-17(3,6-2)16(19)20-15-14-18(4)12-9-8-10-13-18;/h5-15H2,1-4H3;1H/q+1;/p-1