2-tert-butyl-4-chloranyl-5-phenoxy-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-phenoxy-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-phenoxy-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-phenoxy-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-phenoxy-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-phenoxy-4H-pyridazin-2-ium-3-one Formula: C14H16ClN2O2+ MolecularWeight: 279.74204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C14H16ClN2O2/c1-14(2,3)17-13(18)12(15)11(9-16-17)19-10-7-5-4-6-8-10/h4-9,12H,1-3H3/q+1