4-chloranyl-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-chloranyl-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-chloro-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-chloro-N,3-dimethyl-N-(1-methyl-4-piperidin-1-iumyl)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-chloro-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-chloro-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25ClN5O+ MolecularWeight: 398.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N(C)C3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N(C)C3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5O/c1-14-18-19(22)17(21(28)26(3)15-9-11-25(2)12-10-15)13-23-20(18)27(24-14)16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3/p+1