4-chloranyl-2-(1-methylbenzimidazol-2-yl)-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-(1-methylbenzimidazol-2-yl)-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-(1-methylbenzimidazol-2-yl)-5-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-(1-methyl-2-benzimidazolyl)-5-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-(1-methylbenzimidazol-2-yl)-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-(1-methylbenzimidazol-2-yl)-5-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H26ClN6O2+ MolecularWeight: 429.92314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3C(=O)C(=C(C=N3)N4CC[NH+](CC4)CC5CCCO5)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3C(=O)C(=C(C=N3)N4CC[NH+](CC4)C[C@H]5CCCO5)Cl

InChI

InChI=1S/C21H25ClN6O2/c1-25-17-7-3-2-6-16(17)24-21(25)28-20(29)19(22)18(13-23-28)27-10-8-26(9-11-27)14-15-5-4-12-30-15/h2-3,6-7,13,15H,4-5,8-12,14H2,1H3/p+1/t15-/m1/s1