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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C17H20ClN6O+ MolecularWeight: 359.8333

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C17H19ClN6O/c1-2-22-7-9-23(10-8-22)14-11-19-24(16(25)15(14)18)17-20-12-5-3-4-6-13(12)21-17/h3-6,11H,2,7-10H2,1H3,(H,20,21)/p+1