[3,5-bis(fluoranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [3,5-bis(fluoranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3,5-difluorophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3,5-difluorophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3,5-difluorophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3,5-difluorophenyl)methanone Formula: C12H15F2N2O+ MolecularWeight: 241.257106

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H14F2N2O/c13-10-6-9(7-11(14)8-10)12(17)16-4-1-2-15-3-5-16/h6-8,15H,1-5H2/p+1