5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[cyclohexyl-[3-(trifluoromethyl)benzyl]ammonio]methyl]-2-furoate Formula: C20H22F3NO3 MolecularWeight: 381.38879

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C20H22F3NO3/c21-20(22,23)15-6-4-5-14(11-15)12-24(16-7-2-1-3-8-16)13-17-9-10-18(27-17)19(25)26/h4-6,9-11,16H,1-3,7-8,12-13H2,(H,25,26)