| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C26H33N2O3/c1-27(2)26-9-8-24-20-23(6-7-25(24)21-26)5-4-22-10-12-28(13-11-22)14-15-30-18-19-31-17-16-29-3/h4-13,20-21H,14-19H2,1-3H3/q+1 |
| InChIKey | InChI | 1.06 | WKTJDXGTTJINPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOCCOCC[n+]1ccc(/C=C/c2ccc3cc(ccc3c2)N(C)C)cc1 |
| SMILES | CACTVS | 3.385 | COCCOCCOCC[n+]1ccc(C=Cc2ccc3cc(ccc3c2)N(C)C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2cc(ccc2c1)/C=C/c3cc[n+](cc3)CCOCCOCCOC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2cc(ccc2c1)C=Cc3cc[n+](cc3)CCOCCOCCOC |
