275
5-amino-1,2-dimethylpyridinium
Created: | 2007-10-17 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 1 |
Atom Count | 20 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 5-amino-1,2-dimethylpyridinium |
Systematic Name (OpenEye OEToolkits) | 1,6-dimethylpyridin-1-ium-3-amine |
Formula | C7 H11 N2 |
Molecular Weight | 123.176 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Nc1c[n+](c(cc1)C)C |
SMILES | CACTVS | 3.341 | Cc1ccc(N)c[n+]1C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c[n+]1C)N |
Canonical SMILES | CACTVS | 3.341 | Cc1ccc(N)c[n+]1C |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c[n+]1C)N |
InChI | InChI | 1.03 | InChI=1S/C7H11N2/c1-6-3-4-7(8)5-9(6)2/h3-5H,8H2,1-2H3/q+1 |
InChIKey | InChI | 1.03 | FRIAZNRYPWQFFM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 817614 |