1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanone Formula: C14H15ClN3O4+ MolecularWeight: 324.7396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN3O4/c1-10-16(9-14(18(21)22)17(10)6-7-19)8-13(20)11-2-4-12(15)5-3-11/h2-5,9,19H,6-8H2,1H3/q+1