3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-dimethyl-2-phenyl-piperidin-1-ium iodide

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-dimethyl-2-phenyl-piperidin-1-ium iodide Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-dimethyl-2-phenyl-piperidin-1-ium iodide CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-dimethyl-2-phenylpiperidin-1-ium iodide IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-dimethyl-2-phenylpiperidin-1-ium iodide Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]oxy-1,1-dimethyl-2-phenyl-piperidin-1-ium iodide Formula: C22H24F6INO MolecularWeight: 559.326949

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C.[I-]

Isomeric SMILES

C[N+]1(CCCC(C1C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C.[I-]

InChI

InChI=1S/C22H24F6NO.HI/c1-29(2)10-6-9-19(20(29)16-7-4-3-5-8-16)30-14-15-11-17(21(23,24)25)13-18(12-15)22(26,27)28;/h3-5,7-8,11-13,19-20H,6,9-10,14H2,1-2H3;1H/q+1;/p-1