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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-phenacyloxy-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-phenacyloxy-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-phenacyloxy-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-phenacyloxy-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-phenacyloxy-4H-pyridazin-2-ium-3-one Formula: C16H18ClN2O3+ MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN2O3/c1-16(2,3)19-15(21)14(17)13(9-18-19)22-10-12(20)11-7-5-4-6-8-11/h4-9,14H,10H2,1-3H3/q+1