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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=[N+]1C(C)(C)C)NC2=CC(=C(C=C2)F)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CSC(=[N+]1C(C)(C)C)NC2=CC(=C(C=C2)F)Cl.[Br-]

InChI

InChI=1S/C17H22ClFN2S.BrH/c1-16(2,3)14-10-22-15(21(14)17(4,5)6)20-11-7-8-13(19)12(18)9-11;/h7-10H,1-6H3;1H