[(2S)-pentan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-pentan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(1S)-1-methylbutyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(2S)-pentan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(1S)-1-methylbutyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C13H19F3N+ MolecularWeight: 246.29187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC(=CC=C1)C(F)(F)F

InChI

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