[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-phenyl-propanoate iodide

Systemtic Name: [(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-phenyl-propanoate iodide Openeye Name: [(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-phenyl-propanoate iodide CAS Name: (2R)-2-cyclopentyl-2-phenylpropanoic acid [(3R)-1,1-dimethyl-3-pyrrolidin-1-iumyl] ester iodide IUPAC Name: [(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-phenylpropanoate iodide Traditional Name: (2R)-2-cyclopentyl-2-phenyl-propionic acid [(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] ester iodide Formula: C20H30INO2 MolecularWeight: 443.36217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC1)(C2=CC=CC=C2)C(=O)OC3CC[N+](C3)(C)C.[I-]

Isomeric SMILES

C[C@@](C1CCCC1)(C2=CC=CC=C2)C(=O)O[C@@H]3CC[N+](C3)(C)C.[I-]

InChI

InChI=1S/C20H30NO2.HI/c1-20(17-11-7-8-12-17,16-9-5-4-6-10-16)19(22)23-18-13-14-21(2,3)15-18;/h4-6,9-10,17-18H,7-8,11-15H2,1-3H3;1H/q+1;/p-1/t18-,20+;/m1./s1