For the purposes of this contribution, a chemical registration system is a database (or other software system) that stores chemical structures together with assigned identifiers. A minimal registration system needs to provide functionalities to check if a particular compound has already been registered and either return its associated identifier or add the new compound to the database. The registration system must also allow retrieval of a registered chemical structure via its identifier. The identifiers from registration systems are often used as keys in other databases (or tables withing the same database) to associate data with the structures. Chemical registration systems are familiar in chemistry and biology labs in industrial research environments, but are less common in academia and downright rare in computational labs in both industry and academia. Some of this poor adoption of compound registration by computational groups is no doubt due to cultural/social factors, but there are some real technical and scientific challenges as well. On the technical side, most registration systems are applications with graphical user interfaces (GUIs), which are optimized for the manual registration of one compound (or at most a small number of compounds) at a time. These types of interfaces do not integrate well into the workflow of a computational scientist who may be working with large numbers of virtual molecules. For this, some kind of software library or application-programmer interface (API) is required. On the scientific side, the biggest challenge with compound registration is that the answer to the question "are these two compounds the same?" is very context dependent. For example, at the simplest level, "standard" compound registration systems are inherently 2D and would recognize different conformers of the same molecule as being duplicates. These systems are not useful for someone who needs to track things like different docking poses or crystal structures of the same molecule. A more subtle problem is that many registration systems do some form of charge and/or tautomer standardization. This is again a problem if one needs to track the actual tautomer that was observed in an experiment or that was used as input to something like a molecular dynamics (MD) simulation. Some possible use cases for the application of a chemical registration system alone or combined with a database for storing experimental results within a computational group include: