(1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-butyl-3-pyrrolidin-1-iumyl) ester chloride IUPAC Name: (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-butylpyrrolidin-1-ium-3-yl) ester chloride Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCC[NH+]1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H31NO3.ClH/c1-2-3-14-22-15-13-19(16-22)25-20(23)21(24,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,24H,2-3,7-8,11-16H2,1H3;1H