[(2S)-pentan-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-pentan-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(1S)-1-methylbutyl]-[[2-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(2S)-pentan-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(1S)-1-methylbutyl]-[2-(trifluoromethyl)benzyl]ammonium Formula: C13H19F3N+ MolecularWeight: 246.29187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H18F3N/c1-3-6-10(2)17-9-11-7-4-5-8-12(11)13(14,15)16/h4-5,7-8,10,17H,3,6,9H2,1-2H3/p+1/t10-/m0/s1