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

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C24H24BrN3O2 MolecularWeight: 466.37026

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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)OC)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)OC)N.[Br-]

InChI

InChI=1S/C24H23N3O2.BrH/c1-17-7-9-18(10-8-17)15-26-21-5-3-4-6-22(21)27(24(26)25)16-23(28)19-11-13-20(29-2)14-12-19;/h3-14,25H,15-16H2,1-2H3;1H