Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 |
InChIKey | InChI | 1.03 | SZFPYBIJACMNJV-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1 |
SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)C |