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

Systemtic Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(2-thenyl)acetamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2=CC=CS2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCC2=CC=CS2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N5O2S/c1-13-10-15(17(24)21-7-5-20(2)6-8-21)19-22(13)12-16(23)18-11-14-4-3-9-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,18,23)/p+1