(1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-(2-thienyl)cycloheptanecarboxylate iodide CAS Name: 1-thiophen-2-yl-1-cycloheptanecarboxylic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate iodide Traditional Name: 1-(2-thienyl)cycloheptanecarboxylic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C19H30INO2S MolecularWeight: 463.41647

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C2(CCCCCC2)C3=CC=CS3)C.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C2(CCCCCC2)C3=CC=CS3)C.[I-]

InChI

InChI=1S/C19H30NO2S.HI/c1-20(2)13-9-16(10-14-20)22-18(21)19(17-8-7-15-23-17)11-5-3-4-6-12-19;/h7-8,15-16H,3-6,9-14H2,1-2H3;1H/q+1;/p-1