2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloro-4-methoxy-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C22H26Cl2N7O2+ MolecularWeight: 491.39354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

C[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H25Cl2N7O2/c1-31(13-15-3-4-18(33-2)17(23)9-15)8-7-29(12-16(31)10-20(25)32)21-11-19(24)27-22(28-21)30-6-5-26-14-30/h3-6,9,11,14,16H,7-8,10,12-13H2,1-2H3,(H-,25,32)/p+1