2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridazin-3-one Formula: C23H24ClN6O+ MolecularWeight: 435.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H23ClN6O/c24-21-20(25-13-16-7-1-2-8-17(16)15-29-11-5-6-12-29)14-26-30(22(21)31)23-27-18-9-3-4-10-19(18)28-23/h1-4,7-10,14,25H,5-6,11-13,15H2,(H,27,28)/p+1