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

Systemtic Name: 3-[[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-chloro-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-diethyl-ammonium Formula: C22H29ClN5O+ MolecularWeight: 414.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H28ClN5O/c1-5-27(6-2)13-7-12-24-22(29)18-14-25-21-19(20(18)23)16(4)26-28(21)17-10-8-15(3)9-11-17/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,29)/p+1