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

Systemtic Name: 2-ethyl-2-methyl-hexanoate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Openeye Name: 2-ethyl-2-methyl-hexanoate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide CAS Name: 2-ethyl-2-methylhexanoate; 2-(1-methyl-1-piperidin-1-iumyl)ethanol; iodide IUPAC Name: 2-ethyl-2-methylhexanoate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Traditional Name: 2-ethyl-2-methyl-hexanoate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Formula: C17H35INO3- MolecularWeight: 428.36917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C8H18NO.HI/c1-4-6-7-9(3,5-2)8(10)11;1-9(7-8-10)5-3-2-4-6-9;/h4-7H2,1-3H3,(H,10,11);10H,2-8H2,1H3;1H/q;+1;/p-2