N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide

Systemtic Name: N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide Openeye Name: N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide CAS Name: N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-[3-(4-morpholin-4-iumyl)propyl]oxamide IUPAC Name: N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Traditional Name: N'-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=NN2)NC(=O)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC2=C(C=C1)C(=NN2)NC(=O)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N6O3/c1-11-3-4-12-13(18-11)20-21-14(12)19-16(24)15(23)17-5-2-6-22-7-9-25-10-8-22/h3-4H,2,5-10H2,1H3,(H,17,23)(H2,18,19,20,21,24)/p+1