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

Systemtic Name: 4-(4-bromophenyl)-1-tert-butyl-3-(2-chlorophenyl)-1,2,4-triazol-4-ium perchlorate Openeye Name: 4-(4-bromophenyl)-1-tert-butyl-3-(2-chlorophenyl)-1,2,4-triazol-4-ium perchlorate CAS Name: 4-(4-bromophenyl)-1-tert-butyl-3-(2-chlorophenyl)-1,2,4-triazol-4-ium perchlorate IUPAC Name: 4-(4-bromophenyl)-1-tert-butyl-3-(2-chlorophenyl)-1,2,4-triazol-4-ium perchlorate Traditional Name: 4-(4-bromophenyl)-1-tert-butyl-3-(2-chlorophenyl)-1,2,4-triazol-4-ium perchlorate Formula: C18H18BrCl2N3O4 MolecularWeight: 491.16322

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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)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H18BrClN3.ClHO4/c1-18(2,3)23-12-22(14-10-8-13(19)9-11-14)17(21-23)15-6-4-5-7-16(15)20;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1