4-ethyl-1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[4-(trifluoromethoxy)benzyl]-1,4-diazepan-1-ium-5-one Formula: C15H20F3N2O2+ MolecularWeight: 317.32671

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C15H19F3N2O2/c1-2-20-10-9-19(8-7-14(20)21)11-12-3-5-13(6-4-12)22-15(16,17)18/h3-6H,2,7-11H2,1H3/p+1