2-[1-(1H-benzimidazol-3-ium-2-yl)-3-(4-chlorophenyl)propan-2-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(1H-benzimidazol-3-ium-2-yl)-3-(4-chlorophenyl)propan-2-yl]-1H-benzimidazole Openeye Name: 2-[1-(1H-benzimidazol-3-ium-2-ylmethyl)-2-(4-chlorophenyl)ethyl]-1H-benzimidazole CAS Name: 2-[1-(1H-benzimidazol-3-ium-2-yl)-3-(4-chlorophenyl)propan-2-yl]-1H-benzimidazole IUPAC Name: 2-[1-(1H-benzimidazol-3-ium-2-yl)-3-(4-chlorophenyl)propan-2-yl]-1H-benzimidazole Traditional Name: 2-[1-(1H-benzimidazol-3-ium-2-ylmethyl)-2-(4-chlorophenyl)ethyl]-1H-benzimidazole Formula: C23H20ClN4+ MolecularWeight: 387.8847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CC(CC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CC(CC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H19ClN4/c24-17-11-9-15(10-12-17)13-16(23-27-20-7-3-4-8-21(20)28-23)14-22-25-18-5-1-2-6-19(18)26-22/h1-12,16H,13-14H2,(H,25,26)(H,27,28)/p+1