1-[[4-(trifluoromethyl)phenyl]methyl]azepan-1-ium

Systemtic Name: 1-[[4-(trifluoromethyl)phenyl]methyl]azepan-1-ium Openeye Name: 1-[[4-(trifluoromethyl)phenyl]methyl]azepan-1-ium CAS Name: 1-[[4-(trifluoromethyl)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[[4-(trifluoromethyl)phenyl]methyl]azepan-1-ium Traditional Name: 1-[4-(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=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N/c15-14(16,17)13-7-5-12(6-8-13)11-18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2/p+1