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

Systemtic Name: 1-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-4-nitro-imidazol-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-4-nitro-imidazol-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-methyl-4-nitro-1-imidazolyl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-4-nitroimidazol-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-4-nitro-imidazol-1-yl]ethanone Formula: C18H23ClN5O4+ MolecularWeight: 408.85932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O4/c1-13-20-17(24(27)28)18(22-8-6-21(7-9-22)10-11-25)23(13)12-16(26)14-2-4-15(19)5-3-14/h2-5,25H,6-12H2,1H3/p+1