Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC |
SMILES | CACTVS | 3.341 | CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 |
InChIKey | InChI | 1.03 | OZLPUNFFCJDMJD-UHFFFAOYSA-N |