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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24F3N/c1-3-4-5-6-8-13(2)20-12-14-9-7-10-15(11-14)16(17,18)19/h7,9-11,13,20H,3-6,8,12H2,1-2H3/p+1/t13-/m0/s1