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

Systemtic Name: (3S)-1-[(1-methyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6-keto-1-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)methyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CN1C2=NC(=O)C=C(C2=CN1)C[NH+]3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3/c1-17-13-11(6-15-17)10(5-12(19)16-13)8-18-4-2-3-9(7-18)14(20)21/h5-6,9,15H,2-4,7-8H2,1H3,(H,20,21)/t9-/m0/s1