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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclobutyl-2-phenyl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclobutyl-2-phenyl-propanoate iodide CAS Name: 2-cyclobutyl-2-phenylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclobutyl-2-phenylpropanoate iodide Traditional Name: 2-cyclobutyl-2-phenyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C20H30INO2 MolecularWeight: 443.36217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO2.HI/c1-20(17-10-7-11-17,16-8-5-4-6-9-16)19(22)23-18-12-14-21(2,3)15-13-18;/h4-6,8-9,17-18H,7,10-15H2,1-3H3;1H/q+1;/p-1