4-ethyl-1-[[2,3,6-tris(fluoranyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[[2,3,6-tris(fluoranyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(2,3,6-trifluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2,3,6-trifluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2,3,6-trifluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(2,3,6-trifluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C14H18F3N2O+ MolecularWeight: 287.30073

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=C(C=CC(=C2F)F)F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=C(C=CC(=C2F)F)F

InChI

InChI=1S/C14H17F3N2O/c1-2-19-8-7-18(6-5-13(19)20)9-10-11(15)3-4-12(16)14(10)17/h3-4H,2,5-9H2,1H3/p+1