5-[(3-fluoranylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(3-fluoranylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-[(3-fluorophenoxy)methyl]-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1H-pyrazole-3-carboxamide Formula: C21H28FN4O3+ MolecularWeight: 403.470423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C2=NNC(=C2)COC3=CC(=CC=C3)F)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(C1)(CNC(=O)C2=NNC(=C2)COC3=CC(=CC=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C21H27FN4O3/c22-16-4-3-5-18(12-16)29-14-17-13-19(25-24-17)20(27)23-15-21(6-1-2-7-21)26-8-10-28-11-9-26/h3-5,12-13H,1-2,6-11,14-15H2,(H,23,27)(H,24,25)/p+1