(1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-(3-fluoranylcyclopentyl)-2-oxidanyl-ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-(3-fluoranylcyclopentyl)-2-oxidanyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-(3-fluorocyclopentyl)-2-hydroxy-acetate CAS Name: 2-(4-chlorophenyl)-2-(3-fluorocyclopentyl)-2-hydroxyacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-(3-fluorocyclopentyl)-2-hydroxyacetate Traditional Name: 2-(4-chlorophenyl)-2-(3-fluorocyclopentyl)-2-hydroxy-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C20H28ClFNO3+ MolecularWeight: 384.892623

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2CCC(C2)F)(C3=CC=C(C=C3)Cl)O)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2CCC(C2)F)(C3=CC=C(C=C3)Cl)O)C

InChI

InChI=1S/C20H28ClFNO3/c1-23(2)11-9-18(10-12-23)26-19(24)20(25,15-5-8-17(22)13-15)14-3-6-16(21)7-4-14/h3-4,6-7,15,17-18,25H,5,8-13H2,1-2H3/q+1