1-(4-chlorophenyl)-2-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-imidazol-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-imidazol-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-imidazol-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[2-methyl-5-(4-methyl-1-piperazin-4-iumyl)-4-nitro-1-imidazolyl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitroimidazol-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-imidazol-1-yl]ethanone Formula: C17H21ClN5O3+ MolecularWeight: 378.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O3/c1-12-19-16(23(25)26)17(21-9-7-20(2)8-10-21)22(12)11-15(24)13-3-5-14(18)6-4-13/h3-6H,7-11H2,1-2H3/p+1