2-[[1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-methyl-imidazol-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-methyl-imidazol-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-benzoyl-4-chloro-phenyl)-5-methyl-imidazol-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2-benzoyl-4-chlorophenyl)-5-methyl-1-imidazol-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-benzoyl-4-chlorophenyl)-5-methylimidazol-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(2-benzoyl-4-chloro-phenyl)-5-methyl-imidazol-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H19ClN3O3+ MolecularWeight: 456.90036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C[N+]1(CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CN=C[N+]1(CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN3O3/c1-17-14-28-15-30(17,16-29-25(32)20-9-5-6-10-21(20)26(29)33)23-12-11-19(27)13-22(23)24(31)18-7-3-2-4-8-18/h2-15H,16H2,1H3/q+1