4-tert-butyl-N-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-tert-butyl-N-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 4-tert-butyl-N-(3-chloro-4-fluoro-phenyl)-3-isobutyl-thiazol-3-ium-2-amine bromide CAS Name: 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-2-thiazol-3-iumamine bromide IUPAC Name: 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: (4-tert-butyl-3-isobutyl-thiazol-3-ium-2-yl)-(3-chloro-4-fluoro-phenyl)amine bromide Formula: C17H23BrClFN2S MolecularWeight: 421.798323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(SC=C1C(C)(C)C)NC2=CC(=C(C=C2)F)Cl.[Br-]

Isomeric SMILES

CC(C)C[N+]1=C(SC=C1C(C)(C)C)NC2=CC(=C(C=C2)F)Cl.[Br-]

InChI

InChI=1S/C17H22ClFN2S.BrH/c1-11(2)9-21-15(17(3,4)5)10-22-16(21)20-12-6-7-14(19)13(18)8-12;/h6-8,10-11H,9H2,1-5H3;1H