(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-pyridin-3-yl-propanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-pyridin-3-yl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(3-pyridyl)propanoate iodide CAS Name: 2-cyclopentyl-2-(3-pyridinyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-pyridin-3-ylpropanoate iodide Traditional Name: 2-cyclopentyl-2-(3-pyridyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C20H31IN2O2 MolecularWeight: 458.37681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O2.HI/c1-20(16-7-4-5-8-16,17-9-6-12-21-15-17)19(23)24-18-10-13-22(2,3)14-11-18;/h6,9,12,15-16,18H,4-5,7-8,10-11,13-14H2,1-3H3;1H/q+1;/p-1