Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1 |
InChIKey | InChI | 1.06 | HACNGQQLOZYIEB-NIRIFSCTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC[C@H](C(C)C)[C@@H](C1)OC(=O)C[n+]2c(COc3ccccc3)n(C)c4ccccc24 |
SMILES | CACTVS | 3.385 | C[CH]1CC[CH](C(C)C)[CH](C1)OC(=O)C[n+]2c(COc3ccccc3)n(C)c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[n+]2c3ccccc3n(c2COc4ccccc4)C)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C(C1)OC(=O)C[n+]2c3ccccc3n(c2COc4ccccc4)C)C(C)C |