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

Systemtic Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium Openeye Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium CAS Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium IUPAC Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-(1-adamantyl)-4-(4-bromophenyl)-3-phenyl-1,2,4-triazol-4-ium Formula: C24H25BrN3+ MolecularWeight: 435.3794

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN3/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/h1-9,16-19H,10-15H2/q+1