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

Systemtic Name: 3-[(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]propyl-dimethyl-ammonium Formula: C19H23ClN5O+ MolecularWeight: 372.87182

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O/c1-13-16-17(20)15(19(26)21-10-7-11-24(2)3)12-22-18(16)25(23-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,26)/p+1