2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium

Systemtic Name: 2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium Openeye Name: 2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium CAS Name: 2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium IUPAC Name: 2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium Traditional Name: 2-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium Formula: C14H13F3NS+ MolecularWeight: 284.31993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[N+](S2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C=[N+](S2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C14H13F3NS/c15-14(16,17)11-6-2-3-7-12(11)18-9-10-5-1-4-8-13(10)19-18/h2-3,6-7,9H,1,4-5,8H2/q+1