1-propan-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-propan-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-propan-2-yl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-propan-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H27N5O/c1-16(2)27-21-19(14-25-27)11-20(13-23-21)22(28)24-12-17-5-7-18(8-6-17)15-26-9-3-4-10-26/h5-8,11,13-14,16H,3-4,9-10,12,15H2,1-2H3,(H,24,28)/p+1