2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-chlorophenyl)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-chlorobenzyl)-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C26H25Cl2N8O2+ MolecularWeight: 552.4351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1C(=O)C2=CN=CC=C2)CC(=O)N)(CC3=CC=C(C=C3)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

C1C[N+](C(CN1C(=O)C2=CN=CC=C2)CC(=O)N)(CC3=CC=C(C=C3)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H24Cl2N8O2/c27-20-5-3-18(4-6-20)16-36(24-13-22(28)32-26(33-24)35-9-8-31-17-35)11-10-34(15-21(36)12-23(29)37)25(38)19-2-1-7-30-14-19/h1-9,13-14,17,21H,10-12,15-16H2,(H-,29,37)/p+1