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

Systemtic Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azocan-1-ium Openeye Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azocan-1-ium CAS Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-(trifluoromethyl)phenyl]methyl]azocan-1-ium Traditional Name: 1-[2-(trifluoromethyl)benzyl]azocan-1-ium Formula: C15H21F3N+ MolecularWeight: 272.32915

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H20F3N/c16-15(17,18)14-9-5-4-8-13(14)12-19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2/p+1