2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methyl-1-[1-(4-methylphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methyl-1-[1-(4-methylphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-methyl-1-[1-(p-tolyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-methyl-1-[1-(4-methylphenyl)ethyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-1-[1-(4-methylphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-methyl-1-[1-(p-tolyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C23H29ClN7O+ MolecularWeight: 454.97566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)[N+]2(CCN(CC2CC(=O)N)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(C)[N+]2(CCN(CC2CC(=O)N)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C23H28ClN7O/c1-16-4-6-18(7-5-16)17(2)31(11-10-29(3)14-19(31)12-21(25)32)22-13-20(24)27-23(28-22)30-9-8-26-15-30/h4-9,13,15,17,19H,10-12,14H2,1-3H3,(H-,25,32)/p+1