1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium CAS Name: 1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium Traditional Name: 1-[4-(trifluoromethoxy)benzyl]-1,4-diazepan-1-ium Formula: C13H18F3N2O+ MolecularWeight: 275.29003

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H17F3N2O/c14-13(15,16)19-12-4-2-11(3-5-12)10-18-8-1-6-17-7-9-18/h2-5,17H,1,6-10H2/p+1