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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopropyl-2-phenyl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopropyl-2-phenyl-propanoate iodide CAS Name: 2-cyclopropyl-2-phenylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopropyl-2-phenylpropanoate iodide Traditional Name: 2-cyclopropyl-2-phenyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C19H28INO2 MolecularWeight: 429.33559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C2=CC=CC=C2)C(=O)OC3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC(C1CC1)(C2=CC=CC=C2)C(=O)OC3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C19H28NO2.HI/c1-19(16-9-10-16,15-7-5-4-6-8-15)18(21)22-17-11-13-20(2,3)14-12-17;/h4-8,16-17H,9-14H2,1-3H3;1H/q+1;/p-1