4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride Traditional Name: 4-[3,5-bis(trifluoromethyl)benzyl]piperidin-1-ium chloride Formula: C14H16ClF6N MolecularWeight: 347.726959

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-]

InChI

InChI=1S/C14H15F6N.ClH/c15-13(16,17)11-6-10(5-9-1-3-21-4-2-9)7-12(8-11)14(18,19)20;/h6-9,21H,1-5H2;1H