[5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H21FN5O2+ MolecularWeight: 382.411443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4F

InChI

InChI=1S/C20H20FN5O2/c21-17-3-1-2-4-19(17)28-14-15-13-18(24-23-15)20(27)26-11-9-25(10-12-26)16-5-7-22-8-6-16/h1-8,13H,9-12,14H2,(H,23,24)/p+1