2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C23H24ClN6O+ MolecularWeight: 435.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H23ClN6O/c1-16-6-2-3-7-17(16)15-28-10-12-29(13-11-28)20-14-25-30(22(31)21(20)24)23-26-18-8-4-5-9-19(18)27-23/h2-9,14H,10-13,15H2,1H3,(H,26,27)/p+1