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

Systemtic Name: 2-[[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-chloro-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethyl-ammonium Formula: C21H27ClN5O+ MolecularWeight: 400.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O/c1-5-26(6-2)12-11-23-21(28)17-13-24-20-18(19(17)22)15(4)25-27(20)16-9-7-14(3)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,28)/p+1