2-[[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-chloro-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C19H23ClN5O+ MolecularWeight: 372.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C19H22ClN5O/c1-12-5-7-14(8-6-12)25-18-16(13(2)23-25)17(20)15(11-22-18)19(26)21-9-10-24(3)4/h5-8,11H,9-10H2,1-4H3,(H,21,26)/p+1