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

Systemtic Name: 1-(1-adamantyl)-3,4-bis(4-bromophenyl)-1,2,4-triazol-4-ium perchlorate Openeye Name: 1-(1-adamantyl)-3,4-bis(4-bromophenyl)-1,2,4-triazol-4-ium perchlorate CAS Name: 1-(1-adamantyl)-3,4-bis(4-bromophenyl)-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1-(1-adamantyl)-3,4-bis(4-bromophenyl)-1,2,4-triazol-4-ium perchlorate Traditional Name: 1-(1-adamantyl)-3,4-bis(4-bromophenyl)-1,2,4-triazol-4-ium perchlorate Formula: C24H24Br2ClN3O4 MolecularWeight: 613.72606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24Br2N3.ClHO4/c25-20-3-1-19(2-4-20)23-27-29(15-28(23)22-7-5-21(26)6-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24;2-1(3,4)5/h1-8,15-18H,9-14H2;(H,2,3,4,5)/q+1;/p-1