2-[(2S)-1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[4-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C15H22F3N2O+ MolecularWeight: 303.34319

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H21F3N2O/c1-19-7-8-20(11-14(19)6-9-21)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,14,21H,6-11H2,1H3/p+1/t14-/m0/s1