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

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-(3-pyridylmethyl)acetamide Formula: C21H25N6O2S+ MolecularWeight: 425.5272

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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S/c1-25-7-9-26(10-8-25)21(29)17-12-18(19-5-3-11-30-19)27(24-17)15-20(28)23-14-16-4-2-6-22-13-16/h2-6,11-13H,7-10,14-15H2,1H3,(H,23,28)/p+1