3-[(5-ethoxycarbonyl-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylazanium

Systemtic Name: 3-[(5-ethoxycarbonyl-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylazanium Openeye Name: 3-[(5-ethoxycarbonyl-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylammonium CAS Name: 3-[(5-ethoxycarbonyl-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylammonium IUPAC Name: 3-[(5-ethoxycarbonyl-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylazanium Traditional Name: 3-[(5-carbethoxy-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-4-yl)amino]propylammonium Formula: C13H21N5O2+2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC[NH3+]

Isomeric SMILES

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC[NH3+]

InChI

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