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

Systemtic Name: 3-[[4-chloranyl-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-chloro-1-(3-methoxyphenyl)-3-methyl-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]propyl-dimethyl-ammonium Formula: C20H25ClN5O2+ MolecularWeight: 402.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCCC[NH+](C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCCC[NH+](C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24ClN5O2/c1-13-17-18(21)16(20(27)22-9-6-10-25(2)3)12-23-19(17)26(24-13)14-7-5-8-15(11-14)28-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,22,27)/p+1