(2E)-3-ethyl-1-methyl-2-(1,2-oxazol-5-ylimino)-1-[3-(phenylcarbonyl)phenyl]imidazolidin-1-ium-4-one

Systemtic Name: (2E)-3-ethyl-1-methyl-2-(1,2-oxazol-5-ylimino)-1-[3-(phenylcarbonyl)phenyl]imidazolidin-1-ium-4-one Openeye Name: (2E)-1-(3-benzoylphenyl)-3-ethyl-2-isoxazol-5-ylimino-1-methyl-imidazolidin-1-ium-4-one CAS Name: (2E)-1-(3-benzoylphenyl)-3-ethyl-2-(5-isoxazolylimino)-1-methyl-4-imidazolidin-1-iumone IUPAC Name: (2E)-1-(3-benzoylphenyl)-3-ethyl-1-methyl-2-(1,2-oxazol-5-ylimino)imidazolidin-1-ium-4-one Traditional Name: (2E)-1-(3-benzoylphenyl)-3-ethyl-2-isoxazol-5-ylimino-1-methyl-imidazolidin-1-ium-4-one Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C[N+](C1=NC2=CC=NO2)(C)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN\1C(=O)C[N+](/C1=N/C2=CC=NO2)(C)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N4O3/c1-3-25-20(27)15-26(2,22(25)24-19-12-13-23-29-19)18-11-7-10-17(14-18)21(28)16-8-5-4-6-9-16/h4-14H,3,15H2,1-2H3/q+1/b24-22+