| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22N2OS/c1-17(25)23-12-15-26-22(16-18-10-13-24(2)14-11-18)21-9-5-7-19-6-3-4-8-20(19)21/h3-11,13-14,16H,12,15H2,1-2H3/p+1/b22-16+ |
| InChIKey | InChI | 1.06 | ZIHFLCVGRJGTGU-CJLVFECKSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCSC(=C/c1cc[n+](C)cc1)/c2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCSC(=Cc1cc[n+](C)cc1)c2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCS/C(=C/c1cc[n+](cc1)C)/c2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCSC(=Cc1cc[n+](cc1)C)c2cccc3c2cccc3 |
