ethyl 1-(4-chlorophenyl)-4-(furan-2-ylmethylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)-4-(furan-2-ylmethylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-4-(2-furylmethylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 1-(4-chlorophenyl)-4-(2-furanylmethylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-4-(furan-2-ylmethylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-(2-furfurylamino)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C21H20ClN4O3+ MolecularWeight: 411.8615

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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)Cl)C)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C3=CC=C(C=C3)Cl)C)NCC4=CC=CO4

InChI

InChI=1S/C21H19ClN4O3/c1-3-28-21(27)17-12-24-20-18(19(17)23-11-16-5-4-10-29-16)13(2)25-26(20)15-8-6-14(22)7-9-15/h4-10,12H,3,11H2,1-2H3,(H,23,24,25,27)/p+1