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

Systemtic Name: ethyl 4-(furan-2-ylmethylamino)-1,3-dimethyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-(2-furylmethylamino)-1,3-dimethyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-(2-furanylmethylamino)-1,3-dimethyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-ylmethylamino)-1,3-dimethyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-(2-furfurylamino)-1,3-dimethyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C)C)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C)C)NCC3=CC=CO3

InChI

InChI=1S/C16H18N4O3/c1-4-22-16(21)12-9-18-15-13(10(2)19-20(15)3)14(12)17-8-11-6-5-7-23-11/h5-7,9H,4,8H2,1-3H3,(H,17,18,19,21)/p+1