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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-mesyl-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H27ClN7O3S+ MolecularWeight: 505.01288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN7O3S/c1-16-3-5-17(6-4-16)14-30(10-9-29(34(2,32)33)13-18(30)11-20(24)31)21-12-19(23)26-22(27-21)28-8-7-25-15-28/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H-,24,31)/p+1