2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanone Formula: C22H18BrClN3O+ MolecularWeight: 455.75482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrClN3O/c23-17-9-7-16(8-10-17)21(28)14-27-20-4-2-1-3-19(20)26(22(27)25)13-15-5-11-18(24)12-6-15/h1-12,25H,13-14H2/p+1