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

Systemtic Name: 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C24H24FN6O2+ MolecularWeight: 447.484763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C24H23FN6O2/c25-19-5-7-20(8-6-19)31-24(30-10-1-2-11-30)21(17-28-31)23(32)27-16-18-4-3-9-26-22(18)29-12-14-33-15-13-29/h1-11,17H,12-16H2,(H,27,32)/p+1