[(2S)-5-methylhexan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C15H23F3N+ MolecularWeight: 274.34503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22F3N/c1-11(2)7-8-12(3)19-10-13-5-4-6-14(9-13)15(16,17)18/h4-6,9,11-12,19H,7-8,10H2,1-3H3/p+1/t12-/m0/s1