Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C[n+]4ccc([C@H]=[C@H]Cc2sc1ccccc1[n+]2C)c3c4cccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2S/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-12,14-15H,13H2,1-2H3/q+2/b8-7+ |
InChIKey | InChI | 1.03 | BUHZEFGMJCIGHQ-BQYQJAHWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1ccc(/C=C/Cc2sc3ccccc3[n+]2C)c4ccccc14 |
SMILES | CACTVS | 3.385 | C[n+]1ccc(C=CCc2sc3ccccc3[n+]2C)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C |
SMILES | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(c2c1cccc2)C=CCc3[n+](c4ccccc4s3)C |