3-[2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoyl]oxypropyl-trimethyl-azanium bromide

Systemtic Name: 3-[2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoyl]oxypropyl-trimethyl-azanium bromide Openeye Name: 3-[2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetyl]oxypropyl-trimethyl-ammonium bromide CAS Name: 3-[2-(3,3-difluorocyclopentyl)-2-hydroxy-1-oxo-2-phenylethoxy]propyl-trimethylammonium bromide IUPAC Name: 3-[2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetyl]oxypropyl-trimethylazanium bromide Traditional Name: 3-[2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetyl]oxypropyl-trimethyl-ammonium bromide Formula: C19H28BrF2NO3 MolecularWeight: 436.331326

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)C(C1CCC(C1)(F)F)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)C(C1CCC(C1)(F)F)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C19H28F2NO3.BrH/c1-22(2,3)12-7-13-25-17(23)19(24,15-8-5-4-6-9-15)16-10-11-18(20,21)14-16;/h4-6,8-9,16,24H,7,10-14H2,1-3H3;1H/q+1;/p-1