Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CC[N+]([O-])(C)CC1 |
InChI | InChI | 1.06 | InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 |
InChIKey | InChI | 1.06 | OGUCZBIQSYYWEF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[N+]1([O-])CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 |
SMILES | CACTVS | 3.385 | C[N+]1([O-])CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-] |
SMILES | OpenEye OEToolkits | 2.0.7 | C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-] |