1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2,5-difluorobenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H20F2N2+2 MolecularWeight: 242.308106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=C(C=CC(=C2)F)F

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C13H18F2N2/c1-16-5-2-6-17(8-7-16)10-11-9-12(14)3-4-13(11)15/h3-4,9H,2,5-8,10H2,1H3/p+2