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

Systemtic Name: 1-propan-2-yl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-propan-2-yl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-propan-2-yl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C20H24N6O/c1-14(2)26-19-16(13-24-26)10-17(12-22-19)20(27)23-11-15-5-6-21-18(9-15)25-7-3-4-8-25/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,23,27)/p+1