1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate Openeye Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate CAS Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate Traditional Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate Formula: C24H25BrClN3O4 MolecularWeight: 534.83

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=[N+](C(=N4)C5=CC=CC=C5)C6=CC=C(C=C6)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=[N+](C(=N4)C5=CC=CC=C5)C6=CC=C(C=C6)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H25BrN3.ClHO4/c25-21-6-8-22(9-7-21)27-16-28(26-23(27)20-4-2-1-3-5-20)24-13-17-10-18(14-24)12-19(11-17)15-24;2-1(3,4)5/h1-9,16-19H,10-15H2;(H,2,3,4,5)/q+1;/p-1