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

Systemtic Name: 1-(1-adamantyl)-3,4-diphenyl-1,2,4-triazol-4-ium perchlorate Openeye Name: 1-(1-adamantyl)-3,4-diphenyl-1,2,4-triazol-4-ium perchlorate CAS Name: 1-(1-adamantyl)-3,4-diphenyl-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1-(1-adamantyl)-3,4-diphenyl-1,2,4-triazol-4-ium perchlorate Traditional Name: 1-(1-adamantyl)-3,4-diphenyl-1,2,4-triazol-4-ium perchlorate Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N3.ClHO4/c1-3-7-21(8-4-1)23-25-27(17-26(23)22-9-5-2-6-10-22)24-14-18-11-19(15-24)13-20(12-18)16-24;2-1(3,4)5/h1-10,17-20H,11-16H2;(H,2,3,4,5)/q+1;/p-1