3-(1H-imidazol-5-yl)-1-methyl-5-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-benzimidazol-1-ium-2-one

Systemtic Name: 3-(1H-imidazol-5-yl)-1-methyl-5-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-benzimidazol-1-ium-2-one Openeye Name: 3-(1H-imidazol-5-yl)-1-methyl-5-(m-tolyl)-1-(p-tolylsulfonyl)benzimidazol-1-ium-2-one CAS Name: 3-(1H-imidazol-5-yl)-1-methyl-5-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-2-benzimidazol-1-iumone IUPAC Name: 3-(1H-imidazol-5-yl)-1-methyl-5-(3-methylphenyl)-1-(4-methylphenyl)sulfonylbenzimidazol-1-ium-2-one Traditional Name: 3-(1H-imidazol-5-yl)-1-methyl-5-(m-tolyl)-1-tosyl-benzimidazol-1-ium-2-one Formula: C25H23N4O3S+ MolecularWeight: 459.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C3=C(C=C(C=C3)C4=CC(=CC=C4)C)N(C2=O)C5=CN=CN5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C3=C(C=C(C=C3)C4=CC(=CC=C4)C)N(C2=O)C5=CN=CN5)C

InChI

InChI=1S/C25H23N4O3S/c1-17-7-10-21(11-8-17)33(31,32)29(3)23-12-9-20(19-6-4-5-18(2)13-19)14-22(23)28(25(29)30)24-15-26-16-27-24/h4-16H,1-3H3,(H,26,27)/q+1