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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O/c1-4-26(5-2)13-9-12-23-21(28)17-14-24-20-18(19(17)22)15(3)25-27(20)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3,(H,23,28)/p+1