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

Systemtic Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-propan-1-one Openeye Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-propan-1-one CAS Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-phenyl-1-propanone IUPAC Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-phenylpropan-1-one Traditional Name: (2R)-2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-propan-1-one Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O4/c1-11(15(20)13-6-4-3-5-7-13)17-10-14(18(21)22)16(8-9-19)12(17)2/h3-7,10-11,19H,8-9H2,1-2H3/q+1/t11-/m1/s1