N,N-diethyl-2-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[1-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[1-(4-fluorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[1-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C24H29FN5O2S+ MolecularWeight: 470.582763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN5O2S/c1-3-28(4-2)23(31)17-27-11-13-29(14-12-27)24(32)20-16-21(22-6-5-15-33-22)30(26-20)19-9-7-18(25)8-10-19/h5-10,15-16H,3-4,11-14,17H2,1-2H3/p+1