1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate Openeye Name: 1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate CAS Name: 1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate Traditional Name: 1-tert-butyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium perchlorate Formula: C19H19ClF3N3O4 MolecularWeight: 445.82007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H19F3N3.ClHO4/c1-18(2,3)25-13-24(17(23-25)14-8-5-4-6-9-14)16-11-7-10-15(12-16)19(20,21)22;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1