| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]c4c(c1ccccc1)cc(cc4c3nc2cc(ccc2n3)\C(=[NH2+])N)CC[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(CC[NH3+])cc(c3[O-])c4ccccc4 |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(CC[NH3+])cc(c3[O-])c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1 |
| InChIKey | InChI | 1.03 | YYUZFCLHOQHMPT-UHFFFAOYSA-O |
