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

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(2-furanyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-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=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=CO4.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=CO4.[Br-]

InChI

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