種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1 |
InChI | InChI | 1.06 | InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1 |
InChIKey | InChI | 1.06 | IGAWBMMYKICDLH-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O |
SMILES | CACTVS | 3.385 | CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N |