N-[(4-fluorophenyl)methyl]-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide Formula: C22H25FN5O2S+ MolecularWeight: 442.529603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O2S/c1-26-8-10-27(11-9-26)22(30)18-13-19(20-3-2-12-31-20)28(25-18)15-21(29)24-14-16-4-6-17(23)7-5-16/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,29)/p+1