3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride Openeye Name: 3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride CAS Name: 3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride Traditional Name: 3-[3-(trifluoromethyl)benzyl]piperidin-1-ium chloride Formula: C13H17ClF3N MolecularWeight: 279.72899

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CC2=CC(=CC=C2)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CC(C[NH2+]C1)CC2=CC(=CC=C2)C(F)(F)F.[Cl-]

InChI

InChI=1S/C13H16F3N.ClH/c14-13(15,16)12-5-1-3-10(8-12)7-11-4-2-6-17-9-11;/h1,3,5,8,11,17H,2,4,6-7,9H2;1H