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

Systemtic Name: (3-tert-butyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-[(4-chlorophenyl)methyl]azanium Openeye Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-[(4-chlorophenyl)methyl]ammonium CAS Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-[(4-chlorophenyl)methyl]ammonium IUPAC Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-[(4-chlorophenyl)methyl]azanium Traditional Name: (3-tert-butyl-6-keto-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(4-chlorobenzyl)ammonium Formula: C24H26ClN4O+ MolecularWeight: 421.94244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN4O/c1-24(2,3)21-20-13-17(15-26-14-16-9-11-18(25)12-10-16)23(30)27-22(20)29(28-21)19-7-5-4-6-8-19/h4-13,26,28H,14-15H2,1-3H3/p+1