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

Systemtic Name: ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 1-ethyl-3-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-methyl-4-(2-morpholin-4-ium-4-ylethylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C18H29N5O3+2 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N1)C)C(=C(C=N2)C(=O)OCC)NCC[NH+]3CCOCC3

Isomeric SMILES

CC[N+]1=C2C(=C(N1)C)C(=C(C=N2)C(=O)OCC)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27N5O3/c1-4-23-17-15(13(3)21-23)16(14(12-20-17)18(24)26-5-2)19-6-7-22-8-10-25-11-9-22/h12H,4-11H2,1-3H3,(H,19,20,21,24)/p+2