5-chloranyl-4-fluoranyl-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride

Systemtic Name: 5-chloranyl-4-fluoranyl-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride Openeye Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride CAS Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride IUPAC Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride Traditional Name: 5-chloro-4-fluoro-2-methyl-5-(2-propargyloxyphenyl)-1,2,4-triazolidin-4-ium-3-one chloride Formula: C12H12Cl2FN3O2 MolecularWeight: 320.146983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)[NH+](C(N1)(C2=CC=CC=C2OCC#C)Cl)F.[Cl-]

Isomeric SMILES

CN1C(=O)[NH+](C(N1)(C2=CC=CC=C2OCC#C)Cl)F.[Cl-]

InChI

InChI=1S/C12H11ClFN3O2.ClH/c1-3-8-19-10-7-5-4-6-9(10)12(13)15-16(2)11(18)17(12)14;/h1,4-7,15H,8H2,2H3;1H