ethyl 1-[2,2-bis(fluoranyl)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-[2,2-bis(fluoranyl)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(2,2-difluoroethyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(2,2-difluoroethyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(2,2-difluoroethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(2,2-difluoroethyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C16H22ClF2NO2 MolecularWeight: 333.801186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(F)F)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(F)F)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H21F2NO2.ClH/c1-2-21-15(20)16(13-6-4-3-5-7-13)8-10-19(11-9-16)12-14(17)18;/h3-7,14H,2,8-12H2,1H3;1H