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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22F3N/c1-3-4-5-7-12(2)19-11-13-8-6-9-14(10-13)15(16,17)18/h6,8-10,12,19H,3-5,7,11H2,1-2H3/p+1/t12-/m0/s1