O89
Summary
| Name: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |
| Formula: | C18 H20 N3 S |
| Formal charge: | 1 |
| Formula weight: | 310.437 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1 |
| InChIKey | InChI | 1.06 | YMJKNBJZXPYPNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)sc([n+]2C)/N=C/c3ccc(cc3)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)sc([n+]2C)N=Cc3ccc(cc3)N(C)C |
