[(3S)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-phenyl-propanoate iodide

Systemtic Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-phenyl-propanoate iodide Openeye Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-phenyl-propanoate iodide CAS Name: (2S)-2-cyclopentyl-2-phenylpropanoic acid [(3S)-1,1-dimethyl-3-piperidin-1-iumyl] ester iodide IUPAC Name: [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-phenylpropanoate iodide Traditional Name: (2S)-2-cyclopentyl-2-phenyl-propionic acid [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] ester iodide Formula: C21H32INO2 MolecularWeight: 457.38875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC1)(C2=CC=CC=C2)C(=O)OC3CCC[N+](C3)(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO2.HI/c1-21(18-12-7-8-13-18,17-10-5-4-6-11-17)20(23)24-19-14-9-15-22(2,3)16-19;/h4-6,10-11,18-19H,7-9,12-16H2,1-3H3;1H/q+1;/p-1/t19-,21+;/m0./s1