1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[2-(trifluoromethyl)benzyl]-1,4-diazepane-1,4-diium Formula: C14H21F3N2+2 MolecularWeight: 274.32515

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H19F3N2/c1-18-7-4-8-19(10-9-18)11-12-5-2-3-6-13(12)14(15,16)17/h2-3,5-6H,4,7-11H2,1H3/p+2