1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium

Systemtic Name: 1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium Openeye Name: 1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium CAS Name: 1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium IUPAC Name: 1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium Traditional Name: 1-tert-butyl-3-(2-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-4-ium Formula: C18H18ClFN3+ MolecularWeight: 330.807023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18ClFN3/c1-18(2,3)23-12-22(14-10-8-13(20)9-11-14)17(21-23)15-6-4-5-7-16(15)19/h4-12H,1-3H3/q+1