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

Systemtic Name: 2-[1-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[1-(3-chloro-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[1-(3-chloro-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[1-(3-chloro-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[1-(3-chloro-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C29H32ClN8O3+ MolecularWeight: 576.06918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)C(C)C5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)C(C)C5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C29H31ClN8O3/c1-19-13-27(35-29(34-19)37-10-9-33-18-37)38(20(2)21-6-7-25(41-3)24(30)14-21)12-11-36(17-23(38)15-26(31)39)28(40)22-5-4-8-32-16-22/h4-10,13-14,16,18,20,23H,11-12,15,17H2,1-3H3,(H-,31,39)/p+1