Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc2)c4c([n+]3C)cccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2 |
InChIKey | InChI | 1.03 | HTPXDOYVWJQKFJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14 |
SMILES | CACTVS | 3.385 | CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C |