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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C16H24F3N2+ MolecularWeight: 301.37037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H23F3N2/c1-3-13(2)21-10-8-20(9-11-21)12-14-6-4-5-7-15(14)16(17,18)19/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m0/s1