2-[[3-(3-fluorophenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(3-fluorophenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(3-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(3-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[3-(3-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[3-(3-fluorophenyl)-6-keto-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methylammonio]ethyl-dimethyl-ammonium Formula: C23H26FN5O+2 MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC2=C(NN(C2=NC1=O)C3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC2=C(NN(C2=NC1=O)C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN5O/c1-28(2)12-11-25-15-17-14-20-21(16-7-6-8-18(24)13-16)27-29(22(20)26-23(17)30)19-9-4-3-5-10-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3/p+2