3-(4-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C26H25FN5O2+ MolecularWeight: 458.507403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H24FN5O2/c27-21-9-7-20(8-10-21)25-23(18-32(30-25)22-4-2-1-3-5-22)26(33)29-17-19-6-11-24(28-16-19)31-12-14-34-15-13-31/h1-11,16,18H,12-15,17H2,(H,29,33)/p+1