2-[3-(1H-benzimidazol-3-ium-2-yl)-1-(3-methylphenyl)butan-2-yl]-1H-benzimidazole

Systemtic Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)-1-(3-methylphenyl)butan-2-yl]-1H-benzimidazole Openeye Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)-1-(m-tolylmethyl)propyl]-1H-benzimidazole CAS Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)-1-(3-methylphenyl)butan-2-yl]-1H-benzimidazole IUPAC Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)-1-(3-methylphenyl)butan-2-yl]-1H-benzimidazole Traditional Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)-1-(3-methylbenzyl)propyl]-1H-benzimidazole Formula: C25H25N4+ MolecularWeight: 381.4928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C2=NC3=CC=CC=C3N2)C(C)C4=[NH+]C5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=CC=C1)CC(C2=NC3=CC=CC=C3N2)C(C)C4=[NH+]C5=CC=CC=C5N4

InChI

InChI=1S/C25H24N4/c1-16-8-7-9-18(14-16)15-19(25-28-22-12-5-6-13-23(22)29-25)17(2)24-26-20-10-3-4-11-21(20)27-24/h3-14,17,19H,15H2,1-2H3,(H,26,27)(H,28,29)/p+1