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

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-naphthalen-1-yl-ethanone Openeye Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(1-naphthyl)ethanone CAS Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-(1-naphthalenyl)ethanone IUPAC Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-naphthalen-1-ylethanone Traditional Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(1-naphthyl)ethanone Formula: C18H18N3O4+ MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H18N3O4/c1-13-19(12-18(21(24)25)20(13)9-10-22)11-17(23)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,12,22H,9-11H2,1H3/q+1