| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | o1c(ccc1c2ccc(\C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])\N)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH2+] |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2 |
| InChIKey | InChI | 1.03 | ZJHZBDRZEZEDGB-UHFFFAOYSA-P |
