S8I
Summary
Name: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium |
Formula: | C14 H18 N2 |
Formal charge: | 2 |
Formula weight: | 214.306 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2 |
InChIKey | InChI | 1.06 | QTQLUUDYDWDXNA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[n+]1ccc(cc1)c2cc[n+](CC)cc2 |
SMILES | CACTVS | 3.385 | CC[n+]1ccc(cc1)c2cc[n+](CC)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[n+]1ccc(cc1)c2cc[n+](cc2)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC[n+]1ccc(cc1)c2cc[n+](cc2)CC |