3-[(5-carboxy-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-carboxy-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-carboxy-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5-carboxy-1-methyl-4-pyrazolo[3,4-b]pyridinyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-carboxy-1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-carboxy-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propyl-dimethyl-ammonium Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NCCC[NH+](C)C)C(=O)O

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NCCC[NH+](C)C)C(=O)O

InChI

InChI=1S/C13H19N5O2/c1-17(2)6-4-5-14-11-9-8-16-18(3)12(9)15-7-10(11)13(19)20/h7-8H,4-6H2,1-3H3,(H,14,15)(H,19,20)/p+1