2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: 2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: 2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 2-(2,2-dimethyl-1-pyrrolidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl ester chloride Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+]1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CC1(CCC[NH+]1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C21H31NO3.ClH/c1-20(2)13-8-14-22(20)15-16-25-19(23)21(24,18-11-6-7-12-18)17-9-4-3-5-10-17;/h3-5,9-10,18,24H,6-8,11-16H2,1-2H3;1H