1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium CAS Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-[4-(trifluoromethyl)benzyl]-1,4-diazepane-1,4-diium Formula: C13H19F3N2+2 MolecularWeight: 260.29857

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC[NH+](C1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CC[NH+](C1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2/c14-13(15,16)12-4-2-11(3-5-12)10-18-8-1-6-17-7-9-18/h2-5,17H,1,6-10H2/p+2