1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-isopropyl-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-isopropyl-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Formula: C23H27FN5O2+ MolecularWeight: 424.491183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C23H26FN5O2/c1-16(2)21-20(15-27-29(21)19-7-5-18(24)6-8-19)23(30)26-14-17-4-3-9-25-22(17)28-10-12-31-13-11-28/h3-9,15-16H,10-14H2,1-2H3,(H,26,30)/p+1