(1,1-dimethylpiperidin-1-ium-4-yl) 2-(5-chloranylthiophen-2-yl)-2-cyclobutyl-propanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(5-chloranylthiophen-2-yl)-2-cyclobutyl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(5-chloro-2-thienyl)-2-cyclobutyl-propanoate iodide CAS Name: 2-(5-chloro-2-thiophenyl)-2-cyclobutylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(5-chlorothiophen-2-yl)-2-cyclobutylpropanoate iodide Traditional Name: 2-(5-chloro-2-thienyl)-2-cyclobutyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C18H27ClINO2S MolecularWeight: 483.83495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC1)(C2=CC=C(S2)Cl)C(=O)OC3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC(C1CCC1)(C2=CC=C(S2)Cl)C(=O)OC3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C18H27ClNO2S.HI/c1-18(13-5-4-6-13,15-7-8-16(19)23-15)17(21)22-14-9-11-20(2,3)12-10-14;/h7-8,13-14H,4-6,9-12H2,1-3H3;1H/q+1;/p-1