N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H22ClN6O5S+ MolecularWeight: 457.91178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O5S/c1-21-11-19-16(24(26)27)17(21)23-7-5-22(6-8-23)10-15(25)20-14-9-12(30(2,28)29)3-4-13(14)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,25)/p+1