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

Systemtic Name: ethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-methyl-4-(p-anisylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N1)C)C(=C(C=N2)C(=O)OCC)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC[N+]1=C2C(=C(N1)C)C(=C(C=N2)C(=O)OCC)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N4O3/c1-5-24-19-17(13(3)23-24)18(16(12-22-19)20(25)27-6-2)21-11-14-7-9-15(26-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,21,22,23,25)/p+1