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

Systemtic Name: 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Openeye Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(2-furanyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide Formula: C24H26BrN3O2 MolecularWeight: 468.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2.BrH/c1-24(2,3)18-12-10-17(11-13-18)15-26-19-7-4-5-8-20(19)27(23(26)25)16-21(28)22-9-6-14-29-22;/h4-14,25H,15-16H2,1-3H3;1H