ethyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Traditional Name: 3-methyl-4-(p-anisylamino)-2H-pyrazolo[3,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(NN=C2[NH+]=C1)C)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(NN=C2[NH+]=C1)C)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H20N4O3/c1-4-25-18(23)14-10-20-17-15(11(2)21-22-17)16(14)19-9-12-5-7-13(24-3)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,19,20,21,22)/p+1