(3R)-1-[2-[(E)-2-[2,4-bis(fluoranyl)phenyl]-2-[2,5-bis(fluoranyl)phenyl]ethenoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: (3R)-1-[2-[(E)-2-[2,4-bis(fluoranyl)phenyl]-2-[2,5-bis(fluoranyl)phenyl]ethenoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Openeye Name: (3R)-1-[2-[(E)-2-(2,4-difluorophenyl)-2-(2,5-difluorophenyl)vinyloxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride CAS Name: (3R)-1-[2-[(E)-2-(2,4-difluorophenyl)-2-(2,5-difluorophenyl)ethenoxy]ethyl]-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: (3R)-1-[2-[(E)-2-(2,4-difluorophenyl)-2-(2,5-difluorophenyl)ethenoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Traditional Name: (3R)-1-[2-[(E)-2-(2,4-difluorophenyl)-2-(2,5-difluorophenyl)vinyloxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Formula: C22H22ClF4NO3 MolecularWeight: 459.861593

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOC=C(C2=C(C=C(C=C2)F)F)C3=C(C=CC(=C3)F)F)C(=O)O.[Cl-]

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCO/C=C(\C2=C(C=C(C=C2)F)F)/C3=C(C=CC(=C3)F)F)C(=O)O.[Cl-]

InChI

InChI=1S/C22H21F4NO3.ClH/c23-15-4-6-20(25)18(10-15)19(17-5-3-16(24)11-21(17)26)13-30-9-8-27-7-1-2-14(12-27)22(28)29;/h3-6,10-11,13-14H,1-2,7-9,12H2,(H,28,29);1H/b19-13+;/t14-;/m1./s1