Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)CC(NC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[CH](CC([O-])=O)C[N+](C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)NC(CC(=O)[O-])C[N+](C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | IUBZDMWVMKIBIS-OAQYLSRUSA-N |