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

Systemtic Name: 2-[(2S)-1-propan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-propan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-propan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C17H26F3N2O+ MolecularWeight: 331.39635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H25F3N2O/c1-13(2)22-9-8-21(12-15(22)7-10-23)11-14-5-3-4-6-16(14)17(18,19)20/h3-6,13,15,23H,7-12H2,1-2H3/p+1/t15-/m0/s1