ethyl (3R)-3-phenethyl-1-[4,4,4-tris(fluoranyl)butyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-phenethyl-1-[4,4,4-tris(fluoranyl)butyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-phenethyl-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-phenethyl-1-(4,4,4-trifluorobutyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-phenethyl-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-phenethyl-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29F3NO2+ MolecularWeight: 372.44497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CCCC(F)(F)F)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CCCC(F)(F)F)CCC2=CC=CC=C2

InChI

InChI=1S/C20H28F3NO2/c1-2-26-18(25)19(13-10-17-8-4-3-5-9-17)11-6-14-24(16-19)15-7-12-20(21,22)23/h3-5,8-9H,2,6-7,10-16H2,1H3/p+1/t19-/m0/s1