3-ethyl-2,2-bis(fluoranyl)-5-(5-methyl-1-phenyl-1,2,3-triazol-4-yl)-3H-isoindol-2-ium-1-one

Systemtic Name: 3-ethyl-2,2-bis(fluoranyl)-5-(5-methyl-1-phenyl-1,2,3-triazol-4-yl)-3H-isoindol-2-ium-1-one Openeye Name: 3-ethyl-2,2-difluoro-5-(5-methyl-1-phenyl-triazol-4-yl)isoindolin-2-ium-1-one CAS Name: 3-ethyl-2,2-difluoro-5-(5-methyl-1-phenyl-4-triazolyl)-3H-isoindol-2-ium-1-one IUPAC Name: 3-ethyl-2,2-difluoro-5-(5-methyl-1-phenyltriazol-4-yl)-3H-isoindol-2-ium-1-one Traditional Name: 3-ethyl-2,2-difluoro-5-(5-methyl-1-phenyl-triazol-4-yl)isoindolin-2-ium-1-one Formula: C19H17F2N4O+ MolecularWeight: 355.361286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC(=C2)C3=C(N(N=N3)C4=CC=CC=C4)C)C(=O)[N+]1(F)F

Isomeric SMILES

CCC1C2=C(C=CC(=C2)C3=C(N(N=N3)C4=CC=CC=C4)C)C(=O)[N+]1(F)F

InChI

InChI=1S/C19H17F2N4O/c1-3-17-16-11-13(9-10-15(16)19(26)25(17,20)21)18-12(2)24(23-22-18)14-7-5-4-6-8-14/h4-11,17H,3H2,1-2H3/q+1