1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H20ClFN2+2 MolecularWeight: 258.762703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H18ClFN2/c1-16-6-3-7-17(9-8-16)10-11-12(14)4-2-5-13(11)15/h2,4-5H,3,6-10H2,1H3/p+2