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

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C15H18N3O5+ MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O5/c1-11-16(10-15(18(21)22)17(11)7-8-19)9-14(20)12-3-5-13(23-2)6-4-12/h3-6,10,19H,7-9H2,1-2H3/q+1