(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(5-methyl-2-thienyl)propanoate iodide CAS Name: 2-cyclopentyl-2-(5-methyl-2-thiophenyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoate iodide Traditional Name: 2-cyclopentyl-2-(5-methyl-2-thienyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C20H32INO2S MolecularWeight: 477.44305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C)(C2CCCC2)C(=O)OC3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(S1)C(C)(C2CCCC2)C(=O)OC3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C20H32NO2S.HI/c1-15-9-10-18(24-15)20(2,16-7-5-6-8-16)19(22)23-17-11-13-21(3,4)14-12-17;/h9-10,16-17H,5-8,11-14H2,1-4H3;1H/q+1;/p-1