| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2 |
| InChIKey | InChI | 1.03 | CTDCVGDSVHUYMA-UHFFFAOYSA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14 |
| SMILES | CACTVS | 3.385 | C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4 |
