1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Formula: C15H20F3N2O2+ MolecularWeight: 317.32671

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N2O2/c1-19-6-3-7-20(9-8-19)14(21)11-22-13-5-2-4-12(10-13)15(16,17)18/h2,4-5,10H,3,6-9,11H2,1H3/p+1