N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]ethanamide

Systemtic Name: N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]ethanamide Openeye Name: N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]pyrazol-1-yl]acetamide CAS Name: N-(2-methyl-3-pyrazolyl)-2-[4-[5-(1-piperazin-4-iumylmethyl)-3-thiophenyl]-1-pyrazolyl]acetamide IUPAC Name: N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide Traditional Name: N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]pyrazol-1-yl]acetamide Formula: C18H24N7OS+ MolecularWeight: 386.49446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)NC(=O)CN2C=C(C=N2)C3=CSC(=C3)CN4CC[NH2+]CC4

Isomeric SMILES

CN1C(=CC=N1)NC(=O)CN2C=C(C=N2)C3=CSC(=C3)CN4CC[NH2+]CC4

InChI

InChI=1S/C18H23N7OS/c1-23-17(2-3-20-23)22-18(26)12-25-10-15(9-21-25)14-8-16(27-13-14)11-24-6-4-19-5-7-24/h2-3,8-10,13,19H,4-7,11-12H2,1H3,(H,22,26)/p+1