2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)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-[(3-chloranyl-4-methoxy-phenyl)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-[(3-chloro-4-methoxy-phenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C27H27Cl2N8O3+ MolecularWeight: 582.46108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

InChI

InChI=1S/C27H26Cl2N8O3/c1-40-22-5-4-18(11-21(22)28)16-37(25-13-23(29)33-27(34-25)36-8-7-32-17-36)10-9-35(15-20(37)12-24(30)38)26(39)19-3-2-6-31-14-19/h2-8,11,13-14,17,20H,9-10,12,15-16H2,1H3,(H-,30,38)/p+1