1-[[2-(trifluoromethyl)phenyl]methyl]azepan-1-ium

Systemtic Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azepan-1-ium Openeye Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azepan-1-ium CAS Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azepan-1-ium Traditional Name: 1-[2-(trifluoromethyl)benzyl]azepan-1-ium Formula: C14H19F3N+ MolecularWeight: 258.30257

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H18F3N/c15-14(16,17)13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2/p+1