6-azanyl-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile

Systemtic Name: 6-azanyl-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Openeye Name: 6-amino-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile CAS Name: 6-amino-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile IUPAC Name: 6-amino-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Traditional Name: 6-amino-4-(4-dimethylaminophenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Formula: C22H20FN6+ MolecularWeight: 387.432803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=C(C=C3)F)N)C#N)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=C(C=C3)F)N)C#N)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H19FN6/c1-13-19-20(14-4-8-16(9-5-14)28(2)3)18(12-24)21(25)26-22(19)29(27-13)17-10-6-15(23)7-11-17/h4-11H,1-3H3,(H2,25,26,27)/p+1