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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-phenyl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-phenyl-propanoate iodide CAS Name: 2-cyclopentyl-2-phenylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-phenylpropanoate iodide Traditional Name: 2-cyclopentyl-2-phenyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H32INO2 MolecularWeight: 457.38875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO2.HI/c1-21(18-11-7-8-12-18,17-9-5-4-6-10-17)20(23)24-19-13-15-22(2,3)16-14-19;/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3;1H/q+1;/p-1