| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | ZOILQSINXFCIAF-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 |
