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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-(4-benzylpiperazin-4-ium-1-yl)-4-chloropyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-pyridazin-3-one Formula: C22H22ClN6O+ MolecularWeight: 421.90268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C22H21ClN6O/c23-20-19(28-12-10-27(11-13-28)15-16-6-2-1-3-7-16)14-24-29(21(20)30)22-25-17-8-4-5-9-18(17)26-22/h1-9,14H,10-13,15H2,(H,25,26)/p+1