1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium Openeye Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium CAS Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium IUPAC Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium Traditional Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-4-ium Formula: C12H16F3N2+ MolecularWeight: 245.26405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15F3N2/c13-12(14,15)10-3-1-4-11(9-10)17-7-2-5-16-6-8-17/h1,3-4,9,16H,2,5-8H2/p+1