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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methylsulfonylphenyl)propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methylsulfonylphenyl)propanoate iodide CAS Name: 2-cyclopentyl-2-(4-methylsulfonylphenyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methylsulfonylphenyl)propanoate iodide Traditional Name: 2-cyclopentyl-2-(4-mesylphenyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C22H34INO4S MolecularWeight: 535.47913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34NO4S.HI/c1-22(17-7-5-6-8-17,18-9-11-20(12-10-18)28(4,25)26)21(24)27-19-13-15-23(2,3)16-14-19;/h9-12,17,19H,5-8,13-16H2,1-4H3;1H/q+1;/p-1