Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C\1=CN(C)c4ccccc4C/1=C\c2[n+](CC(NC)=O)c3c(s2)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1 |
InChIKey | InChI | 1.03 | TZTFXKRTFIOKBN-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C[n+]1c(sc2ccccc12)\C=C3/C=CN(C)c4ccccc34 |
SMILES | CACTVS | 3.385 | CNC(=O)C[n+]1c(sc2ccccc12)C=C3C=CN(C)c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cccc4)C |