3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-pyrazol-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-pyrazol-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazol-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-1-pyrazol-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazol-1-ium-1-yl]-N-phenyl-propionamide Formula: C30H25ClFN4O+ MolecularWeight: 511.997103

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)N(C4=CC=CC=C4)C(=O)CCC5=CC=C(C=C5)Cl

Isomeric SMILES

C[N+]1(C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)N(C4=CC=CC=C4)C(=O)CCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H25ClFN4O/c1-36(21-28(23-17-19-33-20-18-23)30(34-36)24-10-14-26(32)15-11-24)35(27-5-3-2-4-6-27)29(37)16-9-22-7-12-25(31)13-8-22/h2-8,10-15,17-21H,9,16H2,1H3/q+1