2-(2-chloranyl-3-phenoxy-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Systemtic Name: 2-(2-chloranyl-3-phenoxy-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Openeye Name: 2-(2-chloro-3-phenoxy-phenyl)-3,4,4-trimethyl-5H-oxazol-3-ium iodide CAS Name: 2-(2-chloro-3-phenoxyphenyl)-3,4,4-trimethyl-5H-oxazol-3-ium iodide IUPAC Name: 2-(2-chloro-3-phenoxyphenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Traditional Name: 2-(2-chloro-3-phenoxy-phenyl)-3,4,4-trimethyl-2-oxazolin-3-ium iodide Formula: C18H19ClINO2 MolecularWeight: 443.70643

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=[N+]1C)C2=C(C(=CC=C2)OC3=CC=CC=C3)Cl)C.[I-]

Isomeric SMILES

CC1(COC(=[N+]1C)C2=C(C(=CC=C2)OC3=CC=CC=C3)Cl)C.[I-]

InChI

InChI=1S/C18H19ClNO2.HI/c1-18(2)12-21-17(20(18)3)14-10-7-11-15(16(14)19)22-13-8-5-4-6-9-13;/h4-11H,12H2,1-3H3;1H/q+1;/p-1