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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C15H16ClN6O+ MolecularWeight: 331.78014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C15H15ClN6O/c16-13-12(21-7-5-17-6-8-21)9-18-22(14(13)23)15-19-10-3-1-2-4-11(10)20-15/h1-4,9,17H,5-8H2,(H,19,20)/p+1