| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(C)c1 |
| SMILES | CACTVS | 3.341 | Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1 |
| InChIKey | InChI | 1.03 | UXBCHTZINZNVRG-UHFFFAOYSA-N |
