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

Systemtic Name: 3-[[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-chloro-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethyl-ammonium Formula: C20H25ClN5O+ MolecularWeight: 386.8984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O/c1-13-6-8-15(9-7-13)26-19-17(14(2)24-26)18(21)16(12-23-19)20(27)22-10-5-11-25(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,22,27)/p+1