[(2S)-6-methylheptan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C16H25F3N+ MolecularWeight: 288.37161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24F3N/c1-12(2)6-4-7-13(3)20-11-14-8-5-9-15(10-14)16(17,18)19/h5,8-10,12-13,20H,4,6-7,11H2,1-3H3/p+1/t13-/m0/s1