(1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-(4-fluorophenyl)-2-oxidanyl-ethanoate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-(4-fluorophenyl)-2-oxidanyl-ethanoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-(4-fluorophenyl)-2-hydroxy-acetate bromide CAS Name: 2-cyclopentyl-2-(4-fluorophenyl)-2-hydroxyacetic acid (1,1-dimethyl-2-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-(4-fluorophenyl)-2-hydroxyacetate bromide Traditional Name: 2-cyclopentyl-2-(4-fluorophenyl)-2-hydroxy-acetic acid (1,1-dimethylpiperidin-1-ium-2-yl) ester bromide Formula: C20H29BrFNO3 MolecularWeight: 430.351563

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1OC(=O)C(C2CCCC2)(C3=CC=C(C=C3)F)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1OC(=O)C(C2CCCC2)(C3=CC=C(C=C3)F)O)C.[Br-]

InChI

InChI=1S/C20H29FNO3.BrH/c1-22(2)14-6-5-9-18(22)25-19(23)20(24,15-7-3-4-8-15)16-10-12-17(21)13-11-16;/h10-13,15,18,24H,3-9,14H2,1-2H3;1H/q+1;/p-1