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

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 1-methyl-4-(p-anisylamino)-2H-pyrazolo[3,4-b]pyridin-1-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=CN[N+](=C2N=C1)C)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCC3=CC=C(C=C3)OC

InChI

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