| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(=CC(/C=C2)=[N+](\C)C)Oc4cc(ccc34)N(C)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C35H43N3O6/c1-6-7-8-9-17-42-19-20-43-18-16-36-34(39)24-10-13-27(35(40)41)30(21-24)33-28-14-11-25(37(2)3)22-31(28)44-32-23-26(38(4)5)12-15-29(32)33/h10-15,21-23H,6-9,16-20H2,1-5H3,(H-,36,39,40,41)/p+1 |
| InChIKey | InChI | 1.03 | HKVFTIWQXRNXNR-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3C=CC(C=C3Oc4cc(ccc24)N(C)C)=[N+](C)C |
| SMILES | CACTVS | 3.385 | CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3C=CC(C=C3Oc4cc(ccc24)N(C)C)=[N+](C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O |
