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

Systemtic Name: (3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-3-carboxylate Formula: C14H16F3NO2 MolecularWeight: 287.27755

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C14H16F3NO2/c15-14(16,17)12-5-1-3-10(7-12)8-18-6-2-4-11(9-18)13(19)20/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,20)/t11-/m0/s1