methyl 3-[[4-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C15H19F3NO2+ MolecularWeight: 302.31207

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(F)(F)F

InChI

InChI=1S/C15H18F3NO2/c1-21-14(20)12-4-2-3-11(9-12)10-19-7-5-13(6-8-19)15(16,17)18/h2-4,9,13H,5-8,10H2,1H3/p+1