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

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C(=C2)[N+](=O)[O-])CCO)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C(=C2)[N+](=O)[O-])CCO)C

InChI

InChI=1S/C15H18N3O4/c1-11-3-5-13(6-4-11)14(20)9-16-10-15(18(21)22)17(7-8-19)12(16)2/h3-6,10,19H,7-9H2,1-2H3/q+1