4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-1H-pyridin-2-one

Systemtic Name: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-1H-pyridin-2-one Openeye Name: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-1H-pyridin-2-one CAS Name: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-1H-pyridin-2-one IUPAC Name: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-1H-pyridin-2-one Traditional Name: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium-5-yl]-2-pyridone Formula: C13H15F3N3O+ MolecularWeight: 286.27291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)C2=NCC[NH2+]C(=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)C2=NCC[NH2+]C(=C2)C(F)(F)F)C

InChI

InChI=1S/C13H14F3N3O/c1-7-5-8(2)19-12(20)11(7)9-6-10(13(14,15)16)18-4-3-17-9/h5-6,18H,3-4H2,1-2H3,(H,19,20)/p+1