(1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-cyanophenyl)-2-cyclopentyl-propanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-cyanophenyl)-2-cyclopentyl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-cyanophenyl)-2-cyclopentyl-propanoate iodide CAS Name: 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-cyanophenyl)-2-cyclopentylpropanoate iodide Traditional Name: 2-(4-cyanophenyl)-2-cyclopentyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C22H31IN2O2 MolecularWeight: 482.39821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC1)(C2=CC=C(C=C2)C#N)C(=O)OC3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC(C1CCCC1)(C2=CC=C(C=C2)C#N)C(=O)OC3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C22H31N2O2.HI/c1-22(18-6-4-5-7-18,19-10-8-17(16-23)9-11-19)21(25)26-20-12-14-24(2,3)15-13-20;/h8-11,18,20H,4-7,12-15H2,1-3H3;1H/q+1;/p-1