4-chloranyl-5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C16H20ClN4O2+ MolecularWeight: 335.8086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H19ClN4O2/c17-15-14(20-8-6-19(7-9-20)10-11-22)12-18-21(16(15)23)13-4-2-1-3-5-13/h1-5,12,22H,6-11H2/p+1