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

Systemtic Name: ethyl 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C3=CC=C(C=C3)C)C)NCCCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C3=CC=C(C=C3)C)C)NCCCN4C=CN=C4

InChI

InChI=1S/C23H26N6O2/c1-4-31-23(30)19-14-26-22-20(21(19)25-10-5-12-28-13-11-24-15-28)17(3)27-29(22)18-8-6-16(2)7-9-18/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,25,26,27,30)/p+1