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

Systemtic Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(4-methylphenyl)propan-1-one Openeye Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(p-tolyl)propan-1-one CAS Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-(4-methylphenyl)-1-propanone IUPAC Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-(4-methylphenyl)propan-1-one Traditional Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(p-tolyl)propan-1-one Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N3O4/c1-11-4-6-14(7-5-11)16(21)12(2)18-10-15(19(22)23)17(8-9-20)13(18)3/h4-7,10,12,20H,8-9H2,1-3H3/q+1/t12-/m1/s1