1-[(1-methyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1-methyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-keto-1-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)C=C(C2=CN1)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CN1C2=NC(=O)C=C(C2=CN1)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3/c1-17-13-11(7-15-17)10(6-12(19)16-13)8-18-4-2-9(3-5-18)14(20)21/h6-7,9,15H,2-5,8H2,1H3,(H,20,21)