2-tert-butyl-4-chloranyl-5-[(6-chloranylpyridin-3-yl)methoxy]-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(6-chloranylpyridin-3-yl)methoxy]-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(6-chloro-3-pyridyl)methoxy]-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(6-chloro-3-pyridinyl)methoxy]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-[(6-chloropyridin-3-yl)methoxy]-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(6-chloro-3-pyridyl)methoxy]-4H-pyridazin-2-ium-3-one Formula: C14H16Cl2N3O2+ MolecularWeight: 329.20174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C14H16Cl2N3O2/c1-14(2,3)19-13(20)12(16)10(7-18-19)21-8-9-4-5-11(15)17-6-9/h4-7,12H,8H2,1-3H3/q+1