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

Systemtic Name: (1-cyclohexylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-cyclohexylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-cyclohexyl-3-pyrrolidin-1-iumyl) ester chloride IUPAC Name: (1-cyclohexylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-cyclohexylpyrrolidin-1-ium-3-yl) ester chloride Formula: C23H34ClNO3 MolecularWeight: 407.97396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C23H33NO3.ClH/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18;/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2;1H