When compared with inorganic materials, the molecular organic materials acquire significant interest because of their considerable nonlinear optical properties, virtual unlimited design possibilities and extremely fast response times. Amongst them, organic crystals which are based on the charged chromophores and substantial Coulomb interaction have a number of benefits over non-ionic species, like first-order hyperpolarizability or greater molecular nonlinearity, durable stability and having a larger capability to override the dipole–dipole interactions and therefore it forms a non-centro symmetric macroscopic packing. For instance, DAST (4-N, N-dimethylamino-4′-N′-methyl-stilbazolium tosylate), the organic salt crystal, is one of the finest nonlinear optical materials having larger second-order nonlinear optical susceptibilities. Even though benchmark stilbazolium crystals display a great macroscopic nonlinearity and noble crystal characteristics, improving these physical properties comprising the environmental stability is a provocative topic. Based on this, the present paper discusses the growth of cationic substituted DAST namely 4-chloro -N-methyl 4-stilbazolium tosylate (CMST). Knoevenagel reaction method was used to synthesis CMST salt using Dean-Stark apparatus. The synthesized salt of CMST was dried at 100 °C for 24 h. The dried CMST salt was used to grow the crystals after three recrystallization process. Based on the solubility curve new solvent, mixture of methanol and acetonitrile was used to grow the crystals at room temperature by slope nucleation method. Structure of the grown crystals was characterized using single crystal XRD and FTIR. The compositional analysis was carried out using NMR and CHN analysis. Luminescence characteristics was studied using photoluminescence spectrum. The dielectric characteristics ware carried out from room temperature to 250 °C. Invitro analysis was carried out in the cancer cell line to study it’s anti-cancer activity.