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

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanone bromide Formula: C23H21BrClN3O MolecularWeight: 470.78934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)Cl)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)Cl)N.[Br-]

InChI

InChI=1S/C23H20ClN3O.BrH/c1-16-6-8-17(9-7-16)14-26-20-4-2-3-5-21(20)27(23(26)25)15-22(28)18-10-12-19(24)13-11-18;/h2-13,25H,14-15H2,1H3;1H