5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-chloranyl-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-chloranyl-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-chloro-2-(1-methyl-2-benzimidazolyl)-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one Traditional Name: 4-chloro-2-(1-methylbenzimidazol-2-yl)-5-(4-piperonylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C24H24ClN6O3+ MolecularWeight: 479.93876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3C(=O)C(=C(C=N3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3C(=O)C(=C(C=N3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C24H23ClN6O3/c1-28-18-5-3-2-4-17(18)27-24(28)31-23(32)22(25)19(13-26-31)30-10-8-29(9-11-30)14-16-6-7-20-21(12-16)34-15-33-20/h2-7,12-13H,8-11,14-15H2,1H3/p+1