2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Openeye Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide CAS Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(2-furanyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Traditional Name: 2-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide Formula: C20H17BrClN3O2 MolecularWeight: 446.72488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N)Cl.[Br-]

InChI

InChI=1S/C20H16ClN3O2.BrH/c21-15-7-2-1-6-14(15)12-23-16-8-3-4-9-17(16)24(20(23)22)13-18(25)19-10-5-11-26-19;/h1-11,22H,12-13H2;1H