1-cyclohexylcyclohexane-1-carboxylate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide

Systemtic Name: 1-cyclohexylcyclohexane-1-carboxylate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Openeye Name: 1-cyclohexylcyclohexanecarboxylate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide CAS Name: 1-cyclohexyl-1-cyclohexanecarboxylate; 2-(1-methyl-1-piperidin-1-iumyl)ethanol; iodide IUPAC Name: 1-cyclohexylcyclohexane-1-carboxylate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Traditional Name: 1-cyclohexylcyclohexanecarboxylate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; iodide Formula: C21H39INO3- MolecularWeight: 480.44373

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCO.C1CCC(CC1)C2(CCCCC2)C(=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCO.C1CCC(CC1)C2(CCCCC2)C(=O)[O-].[I-]

InChI

InChI=1S/C13H22O2.C8H18NO.HI/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11;1-9(7-8-10)5-3-2-4-6-9;/h11H,1-10H2,(H,14,15);10H,2-8H2,1H3;1H/q;+1;/p-2