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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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