[3-(4-methylphenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-(4-methylphenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[6-oxo-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]ammonium CAS Name: [3-(4-methylphenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-methylphenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]azanium Traditional Name: benzyl-[[6-keto-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]ammonium Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)C[NH2+]CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)C[NH2+]CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c1-19-12-14-21(15-13-19)25-24-16-22(18-28-17-20-8-4-2-5-9-20)27(32)29-26(24)31(30-25)23-10-6-3-7-11-23/h2-16,28,30H,17-18H2,1H3/p+1