Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(Cc1cc[n+](C)c2ccccc12)[n+](CC(NCCOC)=O)c3c(cccc3)s4 |
InChI | InChI | 1.03 | InChI=1S/C23H24N3O2S/c1-25-13-11-17(18-7-3-4-8-19(18)25)15-23-26(16-22(27)24-12-14-28-2)20-9-5-6-10-21(20)29-23/h3-11,13H,12,14-16H2,1-2H3/q+1/p+1 |
InChIKey | InChI | 1.03 | WEFGJTSJMBBARG-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14 |
SMILES | CACTVS | 3.385 | COCCNC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC |
SMILES | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC |