N4-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-N5-(phenylmethyl)-1H-imidazol-3-ium-4,5-dicarboxamide

Systemtic Name: N4-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-N5-(phenylmethyl)-1H-imidazol-3-ium-4,5-dicarboxamide Openeye Name: N5-benzyl-N4-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1H-imidazol-3-ium-4,5-dicarboxamide CAS Name: N4-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-N5-(phenylmethyl)-1H-imidazol-3-ium-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-4-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1H-imidazol-3-ium-4,5-dicarboxamide Traditional Name: N'-benzyl-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1H-imidazol-3-ium-4,5-dicarboxamide Formula: C25H19BrClN4O3+ MolecularWeight: 538.80036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C([NH+]=CN2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C([NH+]=CN2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H18BrClN4O3/c26-16-10-11-20(18(12-16)23(32)17-8-4-5-9-19(17)27)31-25(34)22-21(29-14-30-22)24(33)28-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,28,33)(H,29,30)(H,31,34)/p+1