| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c4c3c(O\C(=C/c2sc1ccccc1[n+]2CCCS(O)(=O)=O)N3C)ccc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | AHPYSIGATYXERL-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1\C(Oc2ccccc12)=C\c3sc4ccccc4[n+]3CCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | CN1C(Oc2ccccc12)=Cc3sc4ccccc4[n+]3CCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2OC1=Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O |
