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

Systemtic Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium CAS Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Formula: C20H22F6N2+2 MolecularWeight: 404.392499

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC[NH+](C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CC[NH+](C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F6N2/c21-19(22,23)16-6-2-14(3-7-16)18(28-12-1-10-27-11-13-28)15-4-8-17(9-5-15)20(24,25)26/h2-9,18,27H,1,10-13H2/p+2