7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C6H8F3N2+ MolecularWeight: 165.13633

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=CC=C(N1)C(F)(F)F

Isomeric SMILES

C1C[NH+]=CC=C(N1)C(F)(F)F

InChI

InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,11H,3-4H2/p+1