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

Systemtic Name: [(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C12H17F3N+ MolecularWeight: 232.26529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3N/c1-3-9(2)16-8-10-5-4-6-11(7-10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3/p+1/t9-/m0/s1