2-tert-butyl-4-chloranyl-2-oxidanyl-5-phenethyloxy-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-2-oxidanyl-5-phenethyloxy-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-2-hydroxy-5-phenethyloxy-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-2-hydroxy-5-phenethyloxy-3-pyridazin-2-iumone IUPAC Name: 2-tert-butyl-4-chloro-2-hydroxy-5-phenethyloxypyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-2-hydroxy-5-phenethyloxy-pyridazin-2-ium-3-one Formula: C16H20ClN2O3+ MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C(=O)C(=C(C=N1)OCCC2=CC=CC=C2)Cl)O

Isomeric SMILES

CC(C)(C)[N+]1(C(=O)C(=C(C=N1)OCCC2=CC=CC=C2)Cl)O

InChI

InChI=1S/C16H20ClN2O3/c1-16(2,3)19(21)15(20)14(17)13(11-18-19)22-10-9-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3/q+1