2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-(1-imidazolyl)-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-1-(1-thiophen-2-ylethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)-1-(1-thiophen-2-ylethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-nicotinoyl-1-[1-(2-thienyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C25H27N8O2S+ MolecularWeight: 503.59928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C25H26N8O2S/c1-18(21-5-3-11-36-21)33(24-13-23(29-16-30-24)32-8-7-28-17-32)10-9-31(15-20(33)12-22(26)34)25(35)19-4-2-6-27-14-19/h2-8,11,13-14,16-18,20H,9-10,12,15H2,1H3,(H-,26,34)/p+1