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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methylphenoxy)ethyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methylphenoxy)ethyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[1-(4-methylphenoxy)ethyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methylphenoxy)ethyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methylphenoxy)ethyl]-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C28H30ClN8O3+ MolecularWeight: 562.0426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C28H29ClN8O3/c1-19-5-7-23(8-6-19)40-20(2)37(26-15-24(29)33-28(34-26)36-11-10-32-18-36)13-12-35(17-22(37)14-25(30)38)27(39)21-4-3-9-31-16-21/h3-11,15-16,18,20,22H,12-14,17H2,1-2H3,(H-,30,38)/p+1