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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-(4-fluorophenyl)-2-oxidanyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-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-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-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-dimethylpyrrolidin-1-ium-2-yl) ester bromide Formula: C19H27BrFNO3 MolecularWeight: 416.324983

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=C(C=C3)F)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=C(C=C3)F)O)C.[Br-]

InChI

InChI=1S/C19H27FNO3.BrH/c1-21(2)13-5-8-17(21)24-18(22)19(23,14-6-3-4-7-14)15-9-11-16(20)12-10-15;/h9-12,14,17,23H,3-8,13H2,1-2H3;1H/q+1;/p-1