N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H34N5O+ MolecularWeight: 384.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C22H33N5O/c1-17(2)27-20-18(15-25-27)13-19(14-23-20)21(28)24-16-22(9-5-3-6-10-22)26-11-7-4-8-12-26/h13-15,17H,3-12,16H2,1-2H3,(H,24,28)/p+1