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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloro-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)-4-mesyl-piperazin-1-ium-2-yl]acetamide Formula: C22H26Cl2N7O4S+ MolecularWeight: 555.45734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)S(=O)(=O)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)S(=O)(=O)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N7O4S/c1-35-18-4-3-15(9-17(18)23)13-31(8-7-30(36(2,33)34)12-16(31)10-20(25)32)21-11-19(24)27-22(28-21)29-6-5-26-14-29/h3-6,9,11,14,16H,7-8,10,12-13H2,1-2H3,(H-,25,32)/p+1