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

Systemtic Name: 2-[(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H21ClN5O+ MolecularWeight: 358.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O/c1-12-15-16(19)14(18(25)20-9-10-23(2)3)11-21-17(15)24(22-12)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,20,25)/p+1