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

Systemtic Name: (2R)-1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(4-chlorophenyl)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]propan-1-one Formula: C15H17ClN3O4+ MolecularWeight: 338.76618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN3O4/c1-10(15(21)12-3-5-13(16)6-4-12)18-9-14(19(22)23)17(7-8-20)11(18)2/h3-6,9-10,20H,7-8H2,1-2H3/q+1/t10-/m1/s1