ethyl 4-(3-imidazol-1-ylpropylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-[3-(1-imidazolyl)propylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C16H21N6O2+ MolecularWeight: 329.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCCN3C=CN=C3

InChI

InChI=1S/C16H20N6O2/c1-3-24-16(23)13-9-19-15-12(10-20-21(15)2)14(13)18-5-4-7-22-8-6-17-11-22/h6,8-11H,3-5,7H2,1-2H3,(H,18,19,20,23)/p+1