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

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[[2-(trifluoromethyloxy)phenyl]methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[[2-(trifluoromethoxy)phenyl]methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[[2-(trifluoromethoxy)phenyl]methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[[2-(trifluoromethoxy)phenyl]methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[2-(trifluoromethoxy)benzyl]ammonium Formula: C16H25F3NO+ MolecularWeight: 304.37101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC=CC=C1OC(F)(F)F

Isomeric SMILES

C[C@@H](CCCC(C)C)[NH2+]CC1=CC=CC=C1OC(F)(F)F

InChI

InChI=1S/C16H24F3NO/c1-12(2)7-6-8-13(3)20-11-14-9-4-5-10-15(14)21-16(17,18)19/h4-5,9-10,12-13,20H,6-8,11H2,1-3H3/p+1/t13-/m0/s1