3-tert-butyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-3-ium-2-amine iodide

Systemtic Name: 3-tert-butyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-3-ium-2-amine iodide Openeye Name: 3-tert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-thiazol-3-ium-2-amine iodide CAS Name: 3-tert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-2-thiazol-3-iumamine iodide IUPAC Name: 3-tert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-3-ium-2-amine iodide Traditional Name: (3-tert-butyl-4-methyl-thiazol-3-ium-2-yl)-[2-chloro-5-(trifluoromethyl)phenyl]amine iodide Formula: C15H17ClF3IN2S MolecularWeight: 476.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1C(C)(C)C)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[I-]

Isomeric SMILES

CC1=CSC(=[N+]1C(C)(C)C)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[I-]

InChI

InChI=1S/C15H16ClF3N2S.HI/c1-9-8-22-13(21(9)14(2,3)4)20-12-7-10(15(17,18)19)5-6-11(12)16;/h5-8H,1-4H3;1H