N-butyl-2-[4-(6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H35N6O2+ MolecularWeight: 427.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4

InChI

InChI=1S/C23H34N6O2/c1-4-5-8-24-21(30)15-27-9-11-28(12-10-27)23(31)18-13-20(17-6-7-17)26-22-19(18)14-25-29(22)16(2)3/h13-14,16-17H,4-12,15H2,1-3H3,(H,24,30)/p+1