2-[2-(4-fluorophenyl)-6-propan-2-yl-phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Systemtic Name: 2-[2-(4-fluorophenyl)-6-propan-2-yl-phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Openeye Name: 2-[2-(4-fluorophenyl)-6-isopropyl-phenyl]-3,4,4-trimethyl-5H-oxazol-3-ium iodide CAS Name: 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-3,4,4-trimethyl-5H-oxazol-3-ium iodide IUPAC Name: 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Traditional Name: 2-[2-(4-fluorophenyl)-6-isopropyl-phenyl]-3,4,4-trimethyl-2-oxazolin-3-ium iodide Formula: C21H25FINO MolecularWeight: 453.332173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1C2=[N+](C(CO2)(C)C)C)C3=CC=C(C=C3)F.[I-]

Isomeric SMILES

CC(C)C1=CC=CC(=C1C2=[N+](C(CO2)(C)C)C)C3=CC=C(C=C3)F.[I-]

InChI

InChI=1S/C21H25FNO.HI/c1-14(2)17-7-6-8-18(15-9-11-16(22)12-10-15)19(17)20-23(5)21(3,4)13-24-20;/h6-12,14H,13H2,1-5H3;1H/q+1;/p-1