2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 1-phenylcyclohexane-1-carboxylate; iodide

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 1-phenylcyclohexane-1-carboxylate; iodide Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 1-phenylcyclohexanecarboxylate; iodide CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)ethanol; 1-phenyl-1-cyclohexanecarboxylate; iodide IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 1-phenylcyclohexane-1-carboxylate; iodide Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 1-phenylcyclohexanecarboxylate; iodide Formula: C21H34IN2O3- MolecularWeight: 489.41073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2.C8H19N2O.HI/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11;1-10(2)6-3-9(4-7-10)5-8-11;/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15);11H,3-8H2,1-2H3;1H/q;+1;/p-2