3,4-ditert-butyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3,4-ditert-butyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3,4-ditert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]thiazol-3-ium-2-amine bromide CAS Name: 3,4-ditert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiazol-3-iumamine bromide IUPAC Name: 3,4-ditert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-(3,4-ditert-butylthiazol-3-ium-2-yl)amine bromide Formula: C18H23BrClF3N2S MolecularWeight: 471.80583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClF3N2S.BrH/c1-16(2,3)14-10-25-15(24(14)17(4,5)6)23-13-9-11(18(20,21)22)7-8-12(13)19;/h7-10H,1-6H3;1H