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

Systemtic Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C12H12F3N2+ MolecularWeight: 241.23229

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C12H11F3N2/c13-12(14,15)11-8-10(16-6-7-17-11)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2/p+1