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

Systemtic Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H22F3N2O2+ MolecularWeight: 379.39609

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2/c1-27-19(26)16-7-5-15(6-8-16)14-24-9-11-25(12-10-24)18-4-2-3-17(13-18)20(21,22)23/h2-8,13H,9-12,14H2,1H3/p+1