1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[3-(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=C2)C(F)(F)F

Isomeric SMILES

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

InChI

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