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

Systemtic Name: 4-chloranyl-N,3-dimethyl-1-(4-methylphenyl)-N-(1-methylpiperidin-1-ium-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-chloro-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-chloro-N,3-dimethyl-1-(4-methylphenyl)-N-(1-methyl-4-piperidin-1-iumyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-chloro-N,3-dimethyl-1-(4-methylphenyl)-N-(1-methylpiperidin-1-ium-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-chloro-N,3-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H27ClN5O+ MolecularWeight: 412.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)N(C)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)N(C)C4CC[NH+](CC4)C

InChI

InChI=1S/C22H26ClN5O/c1-14-5-7-17(8-6-14)28-21-19(15(2)25-28)20(23)18(13-24-21)22(29)27(4)16-9-11-26(3)12-10-16/h5-8,13,16H,9-12H2,1-4H3/p+1