Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1(OCC[N+](C)(C)C1)c2ccc(cc2)c3ccc(cc3)C4(O)OCC[N+](C)(C)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | C[N+]1(C)CCO[C@](O)(C1)c2ccc(cc2)c3ccc(cc3)[C@@]4(O)C[N+](C)(C)CCO4 |
SMILES | CACTVS | 3.341 | C[N+]1(C)CCO[C](O)(C1)c2ccc(cc2)c3ccc(cc3)[C]4(O)C[N+](C)(C)CCO4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCOC(C1)(c2ccc(cc2)c3ccc(cc3)C4(C[N+](CCO4)(C)C)O)O)C |
InChI | InChI | 1.03 | InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1 |
InChIKey | InChI | 1.03 | JIWUESGGKYLPPG-DNQXCXABSA-N |