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

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N5O2/c1-16(2)27-21-19(14-25-27)11-20(13-23-21)22(28)24-12-17-5-3-4-6-18(17)15-26-7-9-29-10-8-26/h3-6,11,13-14,16H,7-10,12,15H2,1-2H3,(H,24,28)/p+1